SCHEMBL7315272

SCHEMBL7315272

O=C(O)CNCCCc1c(Br)cccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.39
HDAC1 Q13547 1/20 0.39
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 4/20 0.37
POLB P06746 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PLCG2 P16885 1/20 0.36

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
SCHEMBL6779354 0.84 ALDH1A1 (0.40) FBP1HPGDTDP1LMNAATM
SCHEMBL28137614 0.82 FBP1 (0.54) FBP1TDP1TSHRL3MBTL1CYP1A2
SCHEMBL7306219 0.80 ALDH1A1 (0.50) HDAC1HPGDLMNAATMTSHR
SCHEMBL7317232 0.79 CA1 (0.38) HDAC1
SCHEMBL7312552 0.78 SMN1; SMN2 (0.39) HPGDLMNAATMTSHRL3MBTL1
SCHEMBL16397785 0.77 GPR35 (0.46) FBP1TDP1LMNAATMTSHR
SCHEMBL6936036 0.77 GPR35 (0.46) FBP1TDP1LMNAATMTSHR
SCHEMBL16268530 0.75 KAT2B (0.45) TDP1TSHRALDH1A1CYP1A2CYP3A4
SCHEMBL30714381 0.74 TDP1 (0.46) TDP1LMNATSHRALDH1A1CYP1A2
SCHEMBL7643805 0.74 GPR35 (0.46) TDP1LMNAATMTSHRALDH1A1

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-RE31617-E ANTICOAGULANTS; HYPOTENSIVE AND BRONCHODILATOR AGENTS BRISTOL-MYERS COMPANY (US) 1984-06-26 US disclosed
US-3932407-A BRONCHODILATORS, HYPOTENSIVE AGENTS, ANTICOAGULANTS BRISTOL-MYERS COMPANY (US) 1976-01-13 US disclosed