SCHEMBL8744842

SCHEMBL8744842

[CH2]C(C)Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.64
ALDH1A1 P00352 5/20 0.54
TSHR P16473 4/20 0.54
HSD17B10 Q99714 4/20 0.54
ALOX15 P16050 3/20 0.54
ALOX12 P18054 3/20 0.54
CYP3A4 P08684 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
LMNA P02545 2/20 0.54
THRB P10828 1/20 0.54
RECQL P46063 1/20 0.54
ATM Q13315 1/20 0.54
GAA P10253 2/20 0.47
MAPK1 P28482 2/20 0.45
HIF1A Q16665 1/20 0.45
KDM4E B2RXH2 1/20 0.42
KCNH3 Q9ULD8 1/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
CTSD P07339 1/20 0.41

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
SCHEMBL841689 0.78 TDP1 (0.70) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL66892 0.78 TDP1 (1.00) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL990038 0.78 TDP1 (0.70) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL23319717 0.76 TDP1 (0.94) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL28043814 0.76 TDP1 (0.94) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL28043559 0.76 TDP1 (0.94) TDP1ALDH1A1TSHRHSD17B10ALOX15
Hydrochloric Acid SCHEMBL7407338 0.76 TDP1 (0.94) TDP1ALDH1A1TSHRHSD17B10ALOX15
Hydrochloric Acid SCHEMBL11372580 0.76 TDP1 (0.67) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL22710108 0.76 TDP1 (0.67) TDP1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL15212378 0.76 TDP1 (0.94) TDP1ALDH1A1TSHRHSD17B10ALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628026-B1 CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE BASF AG (DE) 1997-01-22 EP disclosed
CN-1081676-A The indoles and the indazole derivatives that are used for the treatment and the prevention of cerebral disorders, their preparation and application SANKYO CO (JP) 1994-02-09 CN disclosed
EP-0562832-A1 Indole and indazole derivatives, for the treatment and prophylaxis of cerebral disorders, their preparation and their use SANKYO COMPANY LIMITED (JP) 1993-09-29 EP disclosed