Sugi Predict

Sugi Predict / Compounds / Methane

Methane

Methane

SCHEMBL28048595

C.Nc1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.96
▸ TDP1 Q9NUW8 4/20 0.96
▸ CYP3A4 P08684 2/20 0.96
▸ ALOX15 P16050 2/20 0.96
▸ MEN1 O00255 4/20 0.67
▸ KMT2A Q03164 4/20 0.67
▸ MAPT P10636 4/20 0.67
▸ TSHR P16473 3/20 0.67
▸ POLB P06746 3/20 0.67
▸ L3MBTL1 Q9Y468 2/20 0.62
▸ RECQL P46063 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ LMNA P02545 1/20 0.56
▸ PKM P14618 1/20 0.51
▸ MCL1 Q07820 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL78083 0.98 ALDH1A1 (1.00) ALDH1A1TDP1CYP3A4ALOX15MEN1
SCHEMBL29358067 0.98 ALDH1A1 (1.00) ALDH1A1TDP1CYP3A4ALOX15MEN1
Hydrochloric Acid SCHEMBL1883446 0.96 ALDH1A1 (0.96) ALDH1A1TDP1CYP3A4ALOX15MEN1
Hydrochloric Acid SCHEMBL3336452 0.96 ALDH1A1 (0.96) ALDH1A1TDP1CYP3A4ALOX15MEN1
SCHEMBL23824901 0.96 ALDH1A1 (0.96) ALDH1A1TDP1CYP3A4ALOX15MEN1
Hydrochloric Acid SCHEMBL28120789 0.94 ALDH1A1 (0.92) ALDH1A1TDP1CYP3A4ALOX15MEN1
Sulfuric Acid SCHEMBL1882494 0.88 ALDH1A1 (0.81) ALDH1A1TDP1CYP3A4ALOX15MEN1
Carbamic Acid SCHEMBL28268243 0.88 ALDH1A1 (0.81) ALDH1A1TDP1CYP3A4ALOX15MEN1
Propene SCHEMBL127283 0.87 ALDH1A1 (0.79) ALDH1A1TDP1CYP3A4ALOX15MEN1
SCHEMBL9286039 0.87 ALDH1A1 (0.79) ALDH1A1TDP1CYP3A4ALOX15MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109761960-A The preparation method of the antitumor EGFR inhibitor of overriding resistance 江苏豪森药业集团有限公司 2019-05-17 — — CN disclosed
CN-108602802-A Aminopyrimidines useful for inhibiting protein tyrosine kinase activity 深圳市塔吉瑞生物医药有限公司 2018-09-28 — — CN disclosed
CN-106132957-B 2-arylamino pyridine, pyrimidine or triazine derivative and preparation method and application thereof 无锡双良生物科技有限公司 2018-06-12 — — CN disclosed
CN-105348266-B 3 chlorine N [3 (the base amino of the pyrimidine 2) phenyl] propionamides or its salt of substitution 阿斯利康(瑞典)有限公司 2018-04-10 — — CN disclosed
CN-105198862-B The substituted amines of N (nitrobenzophenone of 4 fluorine, 2 methoxyl group 5) pyrimidine 2 and its salt 阿斯利康(瑞典)有限公司 2018-01-23 — — CN disclosed
CN-105175396-B 4 methoxyl group N of substitution3The diamine compound of (base of pyrimidine 2) benzene 1,3 and its salt 阿斯利康(瑞典)有限公司 2018-01-16 — — CN disclosed
CN-107406442-A NOVEL PYRIMIDINES AS EGFR INHIBITORS AND METHODS OF TREATING DISORDERS 达纳－法伯癌症研究所公司 2017-11-28 — — CN disclosed
CN-105254616-B The substituted amines of N (nitrobenzophenone of 2 methoxyl group 5) pyrimidine 2 and its salt 阿斯利康(瑞典)有限公司 2017-10-17 — — CN disclosed
CN-105934432-A 2,4-disubstituted phenylene-1,5-diamine derivatives and applications thereof, and pharmaceutical compositions and pharmaceutically acceptable compositions prepared therefrom 上海海雁医药科技有限公司 2016-09-07 — — CN disclosed
CN-105254616-A 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS and salts thereof ASTRAZENECA AB 2016-01-20 — — CN disclosed