SCHEMBL6400960

SCHEMBL6400960

CNc1c(C)[nH]c(C=O)c1C

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL2491769 0.70 ALDH1A1 (0.36) ALDH1A1
SCHEMBL11763540 0.70 ALDH1A1 (0.32) ALDH1A1RAB9A
SCHEMBL11761527 0.70 SMN1; SMN2 (0.38) ALDH1A1RAB9A
SCHEMBL2543556 0.68 KDR (0.41) ALDH1A1RAB9A
SCHEMBL15331397 0.65 ALDH1A1 (0.58) ALDH1A1RAB9A
SCHEMBL394139 0.65 ALDH1A1 (0.46) ALDH1A1RAB9A
SCHEMBL11307800 0.65 CYP1A2 (0.57) ALDH1A1RAB9A
SCHEMBL5358334 0.65 ALDH1A1 (0.39) ALDH1A1RAB9A
SCHEMBL6088532 0.64 CHEK1 (0.34) ALDH1A1
SCHEMBL13303521 0.64 ALDH1A1 (0.39) ALDH1A1RAB9A

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-6861418-B2 4-aryl substituted indolinones SUGEN, INC. (US) 2005-03-01 US disclosed