SCHEMBL5249014

SCHEMBL5249014

O=C(NCC(F)(F)F)c1ccc(-n2nnc(C(=O)NCc3ccc(F)c(F)c3)c2COCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.45
SMO Q99835 1/20 0.40
PPARG P37231 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
EPHX2 P34913 2/20 0.39
MMP13 P45452 1/20 0.39
HPGD P15428 1/20 0.38
P2RX7 Q99572 1/20 0.38
ABCB1 P08183 1/20 0.38
PTGER4 P35408 1/20 0.38
S1PR3 Q99500 1/20 0.38
MAPK14 Q16539 2/20 0.37
SENP5 Q96HI0 1/20 0.37
SENP2 Q9HC62 1/20 0.37
SENP1 Q9P0U3 1/20 0.37
LMNA P02545 1/20 0.37
HDAC3 O15379 1/20 0.37
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL5246087 0.93 CCR1 (0.47) CCR1SMOPPARGSMN1; SMN2MEN1
SCHEMBL5248717 0.93 CCR1 (0.43) CCR1SMOSMN1; SMN2MEN1KMT2A
SCHEMBL5250048 0.92 EPHX2 (0.46) CCR1SMN1; SMN2MEN1KMT2AEPHX2
SCHEMBL5245586 0.91 CCR1 (0.46) CCR1SMOMEN1KMT2AEPHX2
SCHEMBL5244539 0.91 SMO (0.44) CCR1SMOSMN1; SMN2MEN1KMT2A
SCHEMBL5249146 0.90 CCR1 (0.51) CCR1MEN1KMT2AMMP13ABCB1
SCHEMBL5247431 0.90 RIPK1 (0.44) CCR1SMOSMN1; SMN2MEN1KMT2A
SCHEMBL5248465 0.90 CCR1 (0.46) CCR1PPARGSMN1; SMN2MEN1KMT2A
SCHEMBL5244893 0.89 MAPK14 (0.48) CCR1PPARGEPHX2PTGER4MAPK14
SCHEMBL5248289 0.89 CCR1 (0.40) CCR1SMOMEN1KMT2AEPHX2

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-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 EP disclosed