SCHEMBL11763540

SCHEMBL11763540

Cc1[nH]c(C=O)c(C)c1I

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 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
SCHEMBL10118047 0.83 ALDH1A1 (0.31) ALDH1A1RAB9APOLBKMT2A
SCHEMBL10810611 0.81 ALDH1A1 (0.34) ALDH1A1RAB9APOLBKMT2A
SCHEMBL2491769 0.75 ALDH1A1 (0.36) ALDH1A1POLBKMT2A
SCHEMBL11761527 0.75 SMN1; SMN2 (0.38) ALDH1A1RAB9APOLBKMT2A
SCHEMBL5364708 0.73 ALDH1A1 (0.31) ALDH1A1POLBKMT2A
SCHEMBL2543556 0.73 KDR (0.41) ALDH1A1RAB9APOLBKMT2A
SCHEMBL18190428 0.70 ALDH1A1 (0.32) ALDH1A1POLBKMT2A
SCHEMBL394139 0.70 ALDH1A1 (0.46) ALDH1A1RAB9APOLBKMT2A
SCHEMBL5358334 0.70 ALDH1A1 (0.39) ALDH1A1RAB9APOLBKMT2A
SCHEMBL6400960 0.70 ALDH1A1 (0.33) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020070332-A1 OXINDOLE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS ICHNOS SCIENCES S.A. (CH) 2020-04-09 WO disclosed
US-4017313-A Photosensitive composition containing a leuco dye, a photosensitizer, an aromatic aldehyde and a secondary or tertiary amine and the use thereof in a direct-print process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-04-12 US disclosed