SCHEMBL8034388

SCHEMBL8034388

CCCCc1nc(-c2ccc(Cl)cc2)nc(C)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.51
KDM4E B2RXH2 5/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PKM P14618 1/20 0.50
DPP4 P27487 2/20 0.49
NPSR1 Q6W5P4 2/20 0.47
RXRA P19793 4/20 0.46
NR4A2 P43354 4/20 0.46
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
POLB P06746 2/20 0.43
HSD17B10 Q99714 1/20 0.43
RARB P10826 1/20 0.40
ADORA3 P0DMS8 3/20 0.40
GABRP O00591 1/20 0.40

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
SCHEMBL8037054 0.86 KDM4E (0.50) CTRCKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL4011727 0.77 RAB9A (0.41) CTRCKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8021759 0.76 KDM4E (0.49) CTRCKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8021765 0.75 KDM4E (0.51) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8039669 0.75 RXRA (0.55) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4007701 0.75 CTRC (0.41) CTRCKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL23574164 0.75 RARB (0.62) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8033374 0.74 KDM4E (0.50) CTRCKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL22712466 0.74 RARB (0.54) CTRCKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5961069 0.74 FABP3 (0.49) CTRCKDM4ENPC1RAB9ASMN1; SMN2

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
WO-2009080248-A1 SUBSTITUTED 2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed