SCHEMBL9524664

SCHEMBL9524664

Cn1nnc2cc(C(O)c3ccccc3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 10/20 0.52
HCAR3 P49019 1/20 0.51
SLC9A1 P19634 1/20 0.50
RAB9A P51151 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NFE2L2 Q16236 6/20 0.46
ALDH1A1 P00352 1/20 0.44
TDO2 P48775 1/20 0.43
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL9525014 0.88 KEAP1 (0.50) KEAP1HCAR3SLC9A1RAB9AMEN1
SCHEMBL27683936 0.84 KDM4E (0.50) KEAP1HCAR3SLC9A1RAB9ANFE2L2
SCHEMBL18195205 0.84 KEAP1 (0.46) KEAP1HCAR3SLC9A1RAB9AMEN1
SCHEMBL9524820 0.82 KEAP1 (0.52) KEAP1HCAR3SLC9A1RAB9AMEN1
SCHEMBL12376528 0.77 KEAP1 (0.52) KEAP1HCAR3SLC9A1RAB9AMEN1
SCHEMBL16831706 0.77 HCAR3 (0.60) KEAP1HCAR3RAB9AMEN1KMT2A
SCHEMBL9078481 0.76 GRM5 (0.52) RAB9AMEN1KMT2AALDH1A1POLB
SCHEMBL9523778 0.75 POLB (0.53) ALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL9026711 0.75 CYP19A1 (0.58) KEAP1HCAR3SLC9A1RAB9AMEN1
SCHEMBL20313343 0.75 KDM4E (0.42) KEAP1HCAR3RAB9AMEN1KMT2A

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