SCHEMBL8358041

SCHEMBL8358041

CCOc1ccc2nc(Cc3ccc(C(F)(F)F)cc3)sc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
TP53 P04637 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 3/20 0.52
CYP3A4 P08684 2/20 0.52
TSHR P16473 1/20 0.52
MAPT P10636 8/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
HTT P42858 1/20 0.50
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
PKM P14618 1/20 0.47
CA4 P22748 1/20 0.47

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
SCHEMBL8359679 0.88 MAPT (0.61) CYP3A4TSHRMAPTCYP1A2CYP2C19
SCHEMBL8361601 0.86 MAPT (0.65) KMT2ATP53ALDH1A1HSD17B10CYP3A4
SCHEMBL8516569 0.86 MAPT (0.44) KMT2ATP53ALDH1A1HSD17B10CYP3A4
SCHEMBL8359111 0.85 CACNA1B (0.53) MAPTLMNACYP1A2CYP2D6PPARA
SCHEMBL8357709 0.84 KMT2A (0.67) KMT2ATP53ALDH1A1HSD17B10CYP3A4
SCHEMBL8360149 0.84 KMT2A (0.58) KMT2ATP53ALDH1A1HSD17B10CYP3A4
SCHEMBL8551252 0.82 LMNA (0.50) MAPTHTTLMNACA1CA2
SCHEMBL8551665 0.81 CACNA1B (0.47) ALDH1A1MAPTLMNAKDM4ECA1
SCHEMBL8551381 0.81 CACNA1B (0.45) MAPTLMNACA1CA2CA4
SCHEMBL8550957 0.80 CACNA1B (0.44) KMT2AMAPTLMNAMEN1CYP1A2

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
US-5919807-A ANTICHOLESTEROL AGENTS DR. KARL THOMAE GMBH (DE) 1999-07-06 US disclosed
EP-0824529-A1 BENZOTHIAZOLES AND BENZOXAZOLES, AS WELL AS DRUGS CONTAINING THEM, THEIR USE AND METHODS OF PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-02-25 EP disclosed
WO-1996035681-A1 BENZOTHIAZOLES AND BENZOXAZOLES, AS WELL AS DRUGS CONTAINING THEM, THEIR USE AND METHODS OF PREPARING THEM DR. KARL THOMAE GMBH (DE) 1996-11-14 WO disclosed