SCHEMBL21180655

SCHEMBL21180655

Cc1nccc2c1c(-c1csc3ccccc13)cc1cc3c(cc12)sc1ccccc13

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
CDC7 O00311 1/20 0.33
CYP2A6 P11509 1/20 0.33
TGFBR1 P36897 1/20 0.32
ALDH1A1 P00352 4/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 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
SCHEMBL21180602 0.81 MAOA (0.34) MAPTCDC7CYP2A6TGFBR1ALDH1A1
SCHEMBL14725757 0.78 GPR3 (0.41) MAPTCYP2A6ALDH1A1C1SHPGD
SCHEMBL21180672 0.76 ALDH1A1 (0.35) MAPTCDC7TGFBR1ALDH1A1HPGD
SCHEMBL16472922 0.75 GPR3 (0.41) MAPTCYP2A6ALDH1A1C1SHPGD
SCHEMBL21180625 0.74 GPR3 (0.33) MAPTCDC7ALDH1A1C1SHPGD
SCHEMBL14725758 0.74 ALOX5 (0.37) MAPTCYP2A6ALDH1A1C1SHPGD
SCHEMBL21180547 0.74 ALDH1A1 (0.35) MAPTCDC7TGFBR1ALDH1A1GABRA1
SCHEMBL21180624 0.74 KDM4E (0.33) ALDH1A1
SCHEMBL21180639 0.72 ALDH1A1 (0.38) MAPTALDH1A1C1SHPGDGPR3
SCHEMBL16472876 0.71 GPR3 (0.34) MAPTALDH1A1HPGDGPR3RAB9A

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-10361380-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2019-07-23 US disclosed