SCHEMBL9525014

SCHEMBL9525014

Cn1nnc2ccc(C(O)c3ccccc3)cc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 5/20 0.50
SLC9A1 P19634 1/20 0.50
CYP19A1 P11511 5/20 0.47
CYP11B1 P15538 1/20 0.44
HCAR3 P49019 1/20 0.41
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NOTUM Q6P988 1/20 0.39
MAPK1 P28482 3/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
NFE2L2 Q16236 1/20 0.38

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
SCHEMBL9524664 0.88 KEAP1 (0.52) KEAP1SLC9A1HCAR3MEN1RAB9A
SCHEMBL9026711 0.87 CYP19A1 (0.58) KEAP1SLC9A1CYP19A1CYP11B1HCAR3
SCHEMBL9523778 0.84 POLB (0.53) CYP19A1KDM4EMAPK1POLBATM
SCHEMBL9527242 0.81 HDAC3 (0.37) KEAP1MAPK1POLBATMLMNA
Bromide SCHEMBL9523309 0.81 KEAP1 (0.49) KEAP1SLC9A1CYP19A1CYP11B1HCAR3
SCHEMBL9524765 0.80 CYP19A1 (0.44) KEAP1SLC9A1CYP19A1CYP11B1HCAR3
SCHEMBL9523605 0.79 CYP19A1 (0.43) KEAP1SLC9A1CYP19A1CYP11B1HCAR3
SCHEMBL9523595 0.79 LMNA (0.37) MAPK1POLBATMLMNATSHR
SCHEMBL9523464 0.78 SMN1; SMN2 (0.43) SLC9A1RAB9AKMT2AKDM4EMAPK1
SCHEMBL15341829 0.77 CYP19A1 (0.50) KEAP1SLC9A1CYP19A1CYP11B1HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0293978-B1 (1H-AZOL-1-YLMETHYL)SUBSTITUTED BENZOTRIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-09-15 EP disclosed
US-5039677-A Estrogen inhibitor JANSSEN PHARMACEUTICA N.V. (CA) 1991-08-13 US disclosed
US-4943574-A AROMATASE INHIBITORS, ESTROGEN DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 US disclosed
EP-0293978-A2 (1H-azol-1-ylmethyl)substituted benzotriazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-12-07 EP disclosed