SCHEMBL9486183

SCHEMBL9486183

CCCCc1c(C(=O)O)sc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4A1 P60842 8/20 0.47
GPR35 Q9HC97 1/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
RIPK1 Q13546 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
MCL1 Q07820 2/20 0.42
BCL2 P10415 1/20 0.42
BCL2L1 Q07817 1/20 0.42
BAD Q92934 1/20 0.42
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
Hydrochloric Acid SCHEMBL9487425 0.99 EIF4A1 (0.46) EIF4A1GPR35ALDH1A1POLBKMT2A
SCHEMBL9487419 0.89 POLB (0.42) EIF4A1ALDH1A1POLBKMT2AMEN1
SCHEMBL11180478 0.87 MAPT (0.48) ALDH1A1POLBKMT2AMEN1HPGD
SCHEMBL9486042 0.84 LMNA (0.41) EIF4A1ALDH1A1POLBKMT2AMEN1
SCHEMBL1063565 0.80 ALDH1A1 (0.56) GPR35ALDH1A1POLBKMT2AMEN1
SCHEMBL11180853 0.80 EIF4A1 (0.48) EIF4A1ALDH1A1POLBKMT2AMEN1
SCHEMBL4652863 0.77 GPR35 (0.59) GPR35MCL1BCL2BCL2L1BAD
SCHEMBL11799095 0.77 SENP5 (0.44) ALDH1A1POLBKMT2AMEN1PKM
SCHEMBL9486378 0.77 ESR1 (0.42)
SCHEMBL6616990 0.76 MCL1 (0.65) GPR35ALDH1A1KMT2AMCL1BCL2

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
US-5223510-A ALKYLAMINOALKYL DERIVATIVES OF BENZOFURAN, BENZOTHIOPHENE, INDOLE AND INDOLIZINE, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SANOFI (FR) 1993-06-29 US disclosed
US-4410536-A 7,8,9,10-Tetrahydrothieno[3,2-e]pyrido[4,3-b]indole compounds and their anti-depressant use TROPONWERKE GMBH & CO. K.G. (DE) 1983-10-18 US disclosed