SCHEMBL15325110

SCHEMBL15325110

CC1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)[C@@H](O)C(O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 11/20 1.00
▸ PRKCQ Q04759 7/20 0.83
▸ PRKCA P17252 6/20 0.72
▸ MAP3K5 Q99683 2/20 0.63
▸ NTRK1 P04629 2/20 0.61
▸ KDR P35968 2/20 0.61

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
SCHEMBL30076664 1.00 ROCK2 (1.00) ROCK2PRKCQPRKCAMAP3K5NTRK1
SCHEMBL12570350 1.00 ROCK2 (1.00) ROCK2PRKCQPRKCAMAP3K5NTRK1
SCHEMBL31691497 1.00 ROCK2 (1.00) ROCK2PRKCQPRKCAMAP3K5NTRK1
SCHEMBL10017808 1.00 ROCK2 (1.00) ROCK2PRKCQPRKCAMAP3K5NTRK1
SCHEMBL12570604 0.86 PRKCA (0.81) ROCK2PRKCQPRKCA
SCHEMBL12570608 0.86 PRKCQ (0.85) ROCK2PRKCQPRKCAMAP3K5NTRK1
SCHEMBL12570606 0.86 PRKCQ (0.85) ROCK2PRKCQPRKCAMAP3K5NTRK1
SCHEMBL12570349 0.86 PRKCQ (0.85) ROCK2PRKCQPRKCAMAP3K5NTRK1
SCHEMBL30885079 0.85 PRKCQ (1.00) ROCK2PRKCQPRKCAMAP3K5NTRK1
SCHEMBL18635718 0.83 PRKCQ (0.79) ROCK2PRKCQPRKCAMAP3K5NTRK1

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-9169503-B2 Method for producing indole derivative NATIONAL CHIAO TUNG UNIVERSITY (TW) 2015-10-27 — — US disclosed
US-20130273617-A1 METHOD FOR PRODUCING INDOLE DERIVATIVE UNIV NAT CHIAO TUNG (TW) 2013-10-17 — — US disclosed
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