SCHEMBL29129582

SCHEMBL29129582

Cc1ccc(Nc2ccnc(Cl)c2[N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
ALDH1A1 P00352 4/20 0.51
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
IDO1 P14902 1/20 0.45
LMNA P02545 3/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
MAPK1 P28482 2/20 0.42
HTT P42858 5/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 3/20 0.40
JAK2 O60674 1/20 0.40
MITF O75030 1/20 0.40
PAX8 Q06710 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL17815796 0.81 PRMT1 (0.53) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL6214605 0.79 MEN1 (0.53) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL12138409 0.79 ALDH1A1 (0.44) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL28476642 0.78 BCL6 (0.41) MAPTALDH1A1SMN1; SMN2CA1CA2
SCHEMBL16174808 0.77 MAPT (0.51) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL2708359 0.75 ALDH1A1 (0.38) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL7946537 0.75 MEN1 (0.36) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL7885090 0.75 LMNA (0.41) MAPTALDH1A1SMN1; SMN2LMNACA1
SCHEMBL10814713 0.75 ALDH1A1 (0.54) MAPTALDH1A1SMN1; SMN2IDO1LMNA
SCHEMBL18803141 0.75 ALDH1A1 (0.36) MAPTALDH1A1RAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117247383-A Pharmaceutical compounds, salts thereof, formulations thereof, and methods of making and using the same 基因技术公司 2023-12-19 CN claimed
CN-117247383-A Pharmaceutical compounds, salts thereof, formulations thereof, and methods of making and using the same 基因技术公司 2023-12-19 CN disclosed