SCHEMBL27744867

SCHEMBL27744867

CC1=Cc2cccc(-c3ccc(CN)cc3)c2C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.43
AKT2 P31751 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
TAAR1 Q96RJ0 4/20 0.39
ADRB2 P07550 1/20 0.35
MAOB P27338 2/20 0.35
LTA4H P09960 1/20 0.34
CYP2A6 P11509 1/20 0.33
TLR8 Q9NR97 1/20 0.32
BACE1 P56817 1/20 0.32
PDCD1 Q15116 1/20 0.32
CSNK2A1 P68400 1/20 0.32
PNMT P11086 1/20 0.32
CHEK1 O14757 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
SCHEMBL27910111 0.87 HTR7 (0.42) CD274TAAR1CSNK2A1PNMT
SCHEMBL28018977 0.85 HTR7 (0.41) CD274TAAR1CSNK2A1PNMT
SCHEMBL27500689 0.85 KDR (0.38)
SCHEMBL20597604 0.84 BRD4 (0.39) CD274MAOBPDCD1
SCHEMBL27909907 0.83 HTR7 (0.40) CD274TAAR1CSNK2A1PNMT
SCHEMBL3154256 0.82 PDCD1 (0.38) CD274CYP2A6PDCD1
SCHEMBL26668569 0.81 HTR1A (0.31)
SCHEMBL20599017 0.80
SCHEMBL20892241 0.78 KCNH2 (0.31)
SCHEMBL30065602 0.78 PTAFR (0.39)

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
CN-101318887-B Method for preparing indene compounds SHANGHAI RES INST CHEMICAL IND 2011-03-23 CN disclosed
CN-101318887-A Method for preparing indene compounds SHANGHAI RES INST CHEMICAL IND (CN) 2008-12-10 CN disclosed