SCHEMBL19071685

SCHEMBL19071685

Cc1cc(C)cc(-c2ccc(-c3cc(C4=CC(c5ccccc5)NC(c5ccccc5)=C4)cc(-c4ccc(-c5cc(C)cc(C)c5)cn4)c3)nc2)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.34
▸ DHODH Q02127 2/20 0.34
▸ HPGDS O60760 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ HSD17B1 P14061 1/20 0.30
▸ HSD17B2 P37059 1/20 0.30
▸ CHRNB2 P17787 1/20 0.30
▸ CHRNB4 P30926 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30
▸ CHRNA7 P36544 1/20 0.30
▸ CHRNA4 P43681 1/20 0.30

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
SCHEMBL18960789 0.76 HPGD (0.38) —
SCHEMBL16864140 0.76 ALDH1A1 (0.40) —
SCHEMBL15506245 0.73 CYP3A4 (0.49) KDM1ADHODHHPGDSCYP3A4CYP11B1
SCHEMBL17306604 0.73 DHODH (0.48) KDM1ADHODHHPGDSCYP3A4CYP11B1
SCHEMBL20204393 0.73 DHODH (0.48) KDM1ADHODHHPGDSCYP3A4CYP11B1
SCHEMBL18904013 0.72 MEN1 (0.34) —
SCHEMBL22838126 0.72 CYP19A1 (0.36) —
SCHEMBL18436106 0.72 CYP19A1 (0.36) —
SCHEMBL27430958 0.72 CYP11B1 (0.48) KDM1ADHODHHPGDSCYP3A4CYP11B1
SCHEMBL19037251 0.71 MEN1 (0.48) KDM1ADHODHHPGDSCYP3A4CYP11B1

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
EP-3188277-A1 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2017-07-05 — — EP disclosed
Send feedback