SCHEMBL17997443

SCHEMBL17997443

CCc1ccc(Nc2ccc(C=C(c3ccccc3)c3ccc(-c4ccc(C=C(c5ccccc5)c5ccc(C)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.49
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
AKR1C3 P42330 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
ESR1 P03372 1/20 0.38
MAPT P10636 1/20 0.38
CYP19A1 P11511 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL17997452 0.91 PTGS2 (0.57) PTGS2HPGDMEN1KMT2ANPC1
SCHEMBL17997442 0.90 PTGS2 (0.56) PTGS2HPGDMEN1KMT2ANPC1
SCHEMBL17997445 0.87 PTGS2 (0.45) PTGS2MEN1KMT2AATMAKR1C3
SCHEMBL2528716 0.85 PTGS2 (0.59) PTGS2HPGDMEN1KMT2ANPC1
SCHEMBL2528717 0.84 PTGS2 (0.57) PTGS2HPGDMEN1KMT2ANPC1
SCHEMBL17997476 0.82 PTGS2 (0.49) PTGS2HPGDMEN1KMT2ANPC1
SCHEMBL6820125 0.82 HPGD (0.57) PTGS2HPGDMEN1KMT2ANPC1
SCHEMBL17997457 0.81 PTGS2 (0.50) PTGS2HPGDATMNPC1RAB9A
SCHEMBL6293915 0.81 PTGS2 (0.57) PTGS2HPGDMEN1KMT2ANPC1
SCHEMBL6762775 0.81 PTGS2 (0.57) PTGS2HPGDMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160231658-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR AND IMAGE FORMING APPARATUS Konica Minolta, Inc. (JP) 2016-08-11 US disclosed