SCHEMBL9005901

SCHEMBL9005901

ONCc1ccc(OCCc2csc(-c3ccccc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
TP53 P04637 3/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.45
RAB9A P51151 2/20 0.45
ATP4A P20648 4/20 0.45
ATP4B P51164 4/20 0.45
KDM4E B2RXH2 1/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL9257856 0.88 ALDH1A1 (0.50) ALDH1A1GAATP53MAPTLMNA
SCHEMBL9005970 0.79 PTPN2 (0.47) ALDH1A1TP53MAPTLMNARAB9A
SCHEMBL9005934 0.79 MEN1 (0.46) TP53MAPTLMNARAB9AATP4A
SCHEMBL9005938 0.78 TP53 (0.45) ALDH1A1GAATP53MAPTLMNA
SCHEMBL9005931 0.78 ATP4A (0.41) TP53MAPTRAB9AATP4AATP4B
SCHEMBL9262328 0.76 KDM4E (0.55) ALDH1A1GAATP53MAPTLMNA
SCHEMBL9263153 0.76 NPC1 (0.53) TP53MAPTLMNARAB9AKDM4E
SCHEMBL9177249 0.75 PPARA (0.61) GAATP53MAPTLMNARAB9A
SCHEMBL9266531 0.73 TP53 (0.51) TP53MAPTLMNAATP4AATP4B
SCHEMBL4039765 0.73 CYSLTR1 (0.53) ALDH1A1GAATP53MAPTLMNA

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-5541205-A ANTIINFLAMMATORY AGENTS; ANTIASTHMA AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-07-30 US disclosed
US-5428048-A Aryl-N-hydroxyureas as inhibitors of 5-lipoxygenase and anto-arteriosclerotic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1995-06-27 US disclosed