SCHEMBL3596602

SCHEMBL3596602

COc1ccc(Cn2cnc(-c3ccc(Cl)cc3Cl)c2C(C)N)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.40
YTHDC1 Q96MU7 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
QPCTL Q9NXS2 3/20 0.39
QPCT Q16769 2/20 0.39
CSF1R P07333 3/20 0.37
ROCK2 O75116 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DPP4 P27487 1/20 0.37
STAT1 P42224 1/20 0.36
ROCK1 Q13464 1/20 0.36
CXCR2 P25025 1/20 0.36
CNR1 P21554 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NTRK1 P04629 1/20 0.35
NTRK2 Q16620 1/20 0.35

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
SCHEMBL3598037 0.88 CXCR2 (0.47) QPCTLQPCTMEN1KMT2ADPP4
SCHEMBL3600972 0.85 DPP4 (0.41) MEN1KMT2ADPP4CNR1GAA
SCHEMBL3595008 0.84 CXCR2 (0.50) YTHDC1ROCK2DPP4CXCR2LMNA
SCHEMBL3605962 0.84 DPP4 (0.41) TTRYTHDC1S1PR1S1PR5QPCTL
SCHEMBL3600416 0.84 CNR1 (0.42) QPCTLQPCTDPP4CNR1
SCHEMBL3593028 0.83 ALDH1A1 (0.44) DPP4CXCR2CNR1GAA
SCHEMBL3601694 0.83 BCL2L2 (0.45) YTHDC1DPP4SMN1; SMN2
SCHEMBL3605710 0.82 MEN1 (0.40) MEN1KMT2ADPP4CXCR2CNR1
SCHEMBL3592478 0.78 P2RX7 (0.44) DPP4
SCHEMBL3605612 0.77 CNR1 (0.43) DPP4CNR1SMN1; 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
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US claimed