SCHEMBL440491

SCHEMBL440491

Cc1cc(N)c2cc(Cl)ccc2n1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.74
NCF1 P14598 1/20 0.59
ALDH1A1 P00352 2/20 0.57
CASP1 P29466 1/20 0.57
CASP7 P55210 1/20 0.57
HSD17B10 Q99714 1/20 0.57
GNG2 P59768 2/20 0.54
GNB1 P62873 2/20 0.54
MEN1 O00255 1/20 0.54
MMP1 P03956 1/20 0.54
MMP9 P14780 1/20 0.54
ALOX15 P16050 1/20 0.54
BLM P54132 1/20 0.54
KMT2A Q03164 1/20 0.54
POLB P06746 1/20 0.53
TERT O14746 4/20 0.53
DOT1L Q8TEK3 3/20 0.51
HSP90AB1 P08238 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL438119 0.85 NR4A2 (1.00) NR4A2NCF1ALDH1A1CASP1CASP7
SCHEMBL3235863 0.81 NCF1 (0.63) NR4A2NCF1ALDH1A1CASP1CASP7
SCHEMBL438604 0.81 NCF1 (0.63) NR4A2NCF1ALDH1A1CASP1CASP7
SCHEMBL29589153 0.81 POLB (0.72) NR4A2ALDH1A1MEN1KMT2APOLB
SCHEMBL3648083 0.81 LMNA (0.72) NR4A2ALDH1A1MEN1KMT2APOLB
SCHEMBL6481364 0.81 POLB (0.72) NR4A2ALDH1A1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL30579056 0.79 NCF1 (0.61) NR4A2NCF1ALDH1A1CASP1CASP7
SCHEMBL6339837 0.79 TERT (0.78) NR4A2GNG2GNB1MEN1MMP1
SCHEMBL28294625 0.79 NR4A2 (0.52) NR4A2NCF1ALDH1A1CASP1CASP7
SCHEMBL4748554 0.78 POLB (0.53) NR4A2ALDH1A1MEN1KMT2APOLB

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-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed
EP-1150977-B1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed