SCHEMBL18960909

SCHEMBL18960909

c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)Oc4ccccc4S5)nc(-c4ccc5c6ccccc6c6ccccc6c5c4)n3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.34
▸ CYP3A4 P08684 4/20 0.34
▸ CYP2D6 P10635 4/20 0.34
▸ CYP2C19 P33261 4/20 0.34
▸ HSD17B10 Q99714 4/20 0.34
▸ LMNA P02545 4/20 0.34
▸ USP2 O75604 3/20 0.34
▸ ALOX15 P16050 3/20 0.34
▸ CLK4 Q9HAZ1 3/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ MEN1 O00255 10/20 0.34
▸ KMT2A Q03164 10/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ ATM Q13315 1/20 0.33
▸ MAPK1 P28482 3/20 0.32
▸ TSHR P16473 2/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32

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
SCHEMBL18960917 0.91 MEN1 (0.39) HSD17B10LMNAUSP2MEN1KMT2A
SCHEMBL18960944 0.91 USP2 (0.35) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL27288677 0.91 MEN1 (0.40) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL18960916 0.88 — —
SCHEMBL12489878 0.87 PLA2G2A (0.34) —
SCHEMBL18960949 0.84 ALDH1A1 (0.33) HSD17B10LMNAALOX15MEN1KMT2A
SCHEMBL12487836 0.84 MAP4K4 (0.35) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL21304939 0.84 MEN1 (0.37) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL12490366 0.84 PLA2G2A (0.34) —
SCHEMBL18960913 0.84 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170170405-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-15 — — US disclosed
US-20170170405-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-15 — — US disclosed
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