SCHEMBL9188264

SCHEMBL9188264

OOc1ccc(Cl)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.59
CYP2A6 P11509 2/20 0.59
TSHR P16473 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
ESRRA P11474 4/20 0.49
LMNA P02545 4/20 0.49
KMT2A Q03164 4/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GPR84 Q9NQS5 2/20 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
SCHEMBL5099452 0.77 CYP1A2 (0.59) CYP1A2CYP2A6TSHRNPC1RAB9A
SCHEMBL3751527 0.77 CYP1A2 (0.59) CYP1A2CYP2A6TSHRNPC1RAB9A
SCHEMBL29494605 0.77 CYP2A6 (1.00) CYP1A2CYP2A6TSHRNPC1RAB9A
SCHEMBL2473555 0.77 CYP2A6 (1.00) CYP1A2CYP2A6TSHRNPC1RAB9A
SCHEMBL29112050 0.77 TSHR (0.53) CYP1A2CYP2A6TSHRNPC1RAB9A
SCHEMBL29100409 0.76 CYP1A2 (0.56) CYP1A2CYP2A6TSHRNPC1RAB9A
SCHEMBL19474852 0.74 IDO1 (0.62) CYP1A2TSHRKMT2ATDP1NPSR1
SCHEMBL13019803 0.74 CYP1A2 (0.54) CYP1A2CYP2A6TSHRNPC1RAB9A
SCHEMBL21095396 0.74 IDO1 (0.66) CYP1A2CYP2A6TSHRNPC1RAB9A
SCHEMBL11750981 0.74 TSHR (0.68) CYP1A2CYP2A6TSHRNPC1RAB9A

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
EP-0673438-A1 A METHOD FOR THE DETECTION AND TREATMENT OF PROSTATE DISEASE CEPHALON, INC. (US) 1995-09-27 EP disclosed
WO-1994006935-A9 A METHOD FOR THE DETECTION AND TREATMENT OF PROSTATE DISEASE 1994-06-23 WO disclosed
WO-1994006935-A1 A METHOD FOR THE DETECTION AND TREATMENT OF PROSTATE DISEASE CEPHALON, INC. (US) 1994-03-31 WO disclosed
US-4870158-A INDUCES ANTIBODIES USED AS IMMUNODIAGNOSTIC AGENTS TO DETECT ENDOTOXINS QUANTITATIVELY OR QUALITATIVELY UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1989-09-26 US disclosed
EP-0277697-A1 Polymyxin lipopolysaccharide antigen and associated method UNIVERSITY OF PITTSBURGH (US) 1988-08-10 EP disclosed