SCHEMBL4045541

SCHEMBL4045541

O=C(Nc1ccccc1)c1cccc([N+](=O)[O-])c1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
SMN1; SMN2 Q16637 3/20 0.59
GAA P10253 1/20 0.59
HTT P42858 1/20 0.59
NCOA1 Q15788 1/20 0.59
NCOA3 Q9Y6Q9 1/20 0.59
CYP1A2 P05177 3/20 0.57
CYP3A4 P08684 3/20 0.57
CYP2C19 P33261 3/20 0.57
MAPT P10636 3/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 2/20 0.57
NFKB1 P19838 2/20 0.57
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.57
PKM P14618 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
PPARG P37231 1/20 0.57

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
SCHEMBL18146128 0.87 MDM2 (0.62) MEN1KMT2ASMN1; SMN2GAAHTT
SCHEMBL995085 0.86 GAA (0.77) MEN1KMT2ASMN1; SMN2GAAHTT
SCHEMBL2021784 0.84 MEN1 (0.65) MEN1KMT2ASMN1; SMN2GAAHTT
SCHEMBL1692055 0.84 P2RX1 (0.66) MEN1KMT2ASMN1; SMN2GAAHTT
SCHEMBL394290 0.84 MEN1 (0.65) MEN1KMT2ASMN1; SMN2GAAHTT
Methyl Alcohol SCHEMBL4957272 0.83 GAA (0.73) MEN1KMT2ASMN1; SMN2GAAHTT
SCHEMBL27651199 0.82 MEN1 (0.64) MEN1KMT2ASMN1; SMN2GAAHTT
SCHEMBL10841799 0.82 MEN1 (0.64) MEN1KMT2ASMN1; SMN2GAAHTT
SCHEMBL3788790 0.82 ALDH1A1 (0.66) MEN1KMT2AHTTCYP1A2CYP3A4
SCHEMBL28158256 0.82 MEN1 (0.60) MEN1KMT2ASMN1; SMN2GAAHTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110072842-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2019-07-30 CN disclosed
CN-102702193-A Anti-viral compounds ABBOTT LAB 2012-10-03 CN disclosed
EP-2051967-A1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS AstraZeneca AB (SE) 2009-04-29 EP disclosed
WO-2008018827-A1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS ASTRAZENECA AB (SE) 2008-02-14 WO disclosed
CN-1529591-A Method for synthesizing phenol-containing compounds ʷ��˿�������ȳ�ķ���޹�˾ 2004-09-15 CN disclosed