SCHEMBL31303455

SCHEMBL31303455

COc1ccc(Cl)cc1C(C(N)=O)c1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.44
▸ LMNA P02545 5/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ RECQL P46063 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ G6PD P11413 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ ADRB2 P07550 1/20 0.39
▸ PDE7A Q13946 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
SCHEMBL27458742 0.78 ADRB2 (0.44) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL28942793 0.72 ALDH1A1 (0.43) MAPTLMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL30322562 0.72 ALDH1A1 (0.43) MAPTLMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL11462352 0.70 TSHR (0.51) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL31480794 0.70 ALDH1A1 (0.51) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL10775464 0.69 TDP1 (0.53) MAPTLMNAALDH1A1MAPK1MEN1
4-Chloro-2-Nitroaniline SCHEMBL131251 0.69 TDP1 (0.64) MAPTLMNAALDH1A1MAPK1MEN1
SCHEMBL11040254 0.69 LPAR1 (0.46) MAPTLMNAALDH1A1HPGDMEN1
SCHEMBL20969964 0.69 MAPT (0.48) MAPTLMNAALDH1A1HPGDMEN1
SCHEMBL6495434 0.69 ALDH1A1 (0.51) MAPTLMNAALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114269721-B Compounds for the treatment of respiratory diseases TMEM16A有限公司 2024-12-20 — — CN disclosed
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