SCHEMBL18473301

SCHEMBL18473301

C=Cc1c(C=C)c(N)c2ccccc2c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.38
▸ TSHR P16473 5/20 0.38
▸ KDM4E B2RXH2 7/20 0.37
▸ HPGD P15428 5/20 0.37
▸ HSD17B10 Q99714 5/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ CASP1 P29466 3/20 0.37
▸ CASP7 P55210 3/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ GLA P06280 2/20 0.37
▸ ACHE P22303 2/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ NQO2 P16083 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ ADRA1A P35348 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
SCHEMBL20403944 0.85 ACHE (0.31) ACHEEP300
SCHEMBL29925960 0.77 ALDH1A1 (0.45) ALDH1A1TSHRKDM4EHSD17B10SMN1; SMN2
SCHEMBL5831187 0.77 ALDH1A1 (0.45) ALDH1A1TSHRKDM4EHSD17B10SMN1; SMN2
SCHEMBL19512835 0.75 ALDH1A1 (0.43) ALDH1A1TSHRHSD17B10TDP1KMT2A
SCHEMBL18931271 0.75 ALDH1A1 (0.43) ALDH1A1TSHRHPGDHSD17B10TDP1
SCHEMBL19706178 0.73 — —
SCHEMBL29401594 0.73 ALDH1A1 (0.58) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL1458501 0.73 ALDH1A1 (0.58) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL15566614 0.72 KDM4E (0.41) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL12667353 0.72 PADI4 (0.31) —

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-9562192-B2 Alignment method and liquid crystal display panel Shanghai Tianma Micro-electronics Co., Ltd. (CN) 2017-02-07 — — US disclosed
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