SCHEMBL8307912

SCHEMBL8307912

O=C(CCc1oc(Sc2ccccn2)nc1-c1ccccc1Cl)NCCCl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
ALDH1A1 P00352 5/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
NR4A2 P43354 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ENPP2 Q13822 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
SCHEMBL7465631 0.87 SMN1; SMN2 (0.41) HPGDALDH1A1NPC1RAB9AMAPT
SCHEMBL7453967 0.71 RXRA (0.49) HPGDALDH1A1NPC1RAB9AMAPT
SCHEMBL5212654 0.71 L3MBTL1 (0.40) ALDH1A1NPC1RAB9AMAPTKDM4E
SCHEMBL7452841 0.67 LMNA (0.47) HPGDALDH1A1RAB9AKDM4ELMNA
SCHEMBL1362235 0.65 L3MBTL1 (0.43) ALDH1A1NPC1RAB9AMAPTLMNA
SCHEMBL8304257 0.63 RXRA (0.45) ALDH1A1NPC1RAB9AHTTLMNA
SCHEMBL10832274 0.62 RXRA (0.57) RXRARXRBNR4A2KMT2ACYP2C19
SCHEMBL7463020 0.61 RXFP1 (0.39) ALDH1A1MAPTTSHRLMNASMN1; SMN2
SCHEMBL7458187 0.60 L3MBTL1 (0.40) ALDH1A1NPC1RAB9AMAPTTSHR
SCHEMBL5212017 0.59 RXRA (0.49) HPGDALDH1A1MAPTTSHRHTT

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
EP-0891340-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1999-01-20 EP disclosed
WO-1997036882-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-09 WO disclosed