SCHEMBL17826980

SCHEMBL17826980

CCc1cc(-c2cccc(Cl)c2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.47
MAP4K4 O95819 2/20 0.45
PDE4B Q07343 2/20 0.44
TAAR1 Q96RJ0 2/20 0.43
DHFR P00374 1/20 0.43
PIM1 P11309 1/20 0.43
SREBF1 P36956 1/20 0.41
SREBF2 Q12772 1/20 0.41
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2C19 P33261 1/20 0.41
ESR2 Q92731 1/20 0.41
NOTUM Q6P988 1/20 0.41
KMO O15229 1/20 0.41
NUDT1 P36639 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
SCHEMBL31555358 0.83 CYP1A2 (0.52) MAP4K4SREBF1SREBF2CYP3A4CYP1A2
SCHEMBL13273291 0.82 SREBF2 (0.50) MAP4K4SREBF1SREBF2CYP3A4KDM4E
SCHEMBL8257156 0.82 SREBF2 (0.48) MAP4K4SREBF1SREBF2CYP3A4CYP1A2
SCHEMBL10272612 0.81 SREBF1 (0.49) MAP4K4SREBF1SREBF2CYP1A2KMO
SCHEMBL10272990 0.80 FGFR1 (0.42) MAP4K4SREBF1SREBF2CYP3A4KDM4E
SCHEMBL11176714 0.79 MAP4K4 (0.49) MAP4K4SREBF1SREBF2CYP3A4CYP1A2
SCHEMBL11372896 0.79 SREBF2 (0.54) SREBF2CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL1507045 0.79
SCHEMBL28021728 0.79 PDE4B (0.53) MAP4K4PDE4BDHFRCYP3A4KDM4E
SCHEMBL13273052 0.78 CNR2 (0.47) CNR2MAP4K4PDE4BTAAR1DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379535-B1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2016-06-15 EP disclosed