SCHEMBL13638824

SCHEMBL13638824

COCCNC(=O)c1cc(CN2CCC(F)CC2)ccc1NC(=O)c1csc(N2CC[C@H](OC)C2)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
MCHR1 Q99705 2/20 0.36
ACKR3 P25106 2/20 0.36
POLB P06746 1/20 0.36
PARP1 P09874 1/20 0.36
TNK1 Q13470 1/20 0.36
GRM2 Q14416 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
SCD O00767 2/20 0.35
SCD5 Q86SK9 2/20 0.35
F10 P00742 1/20 0.35
GPR6 P46095 1/20 0.35
PIN1 Q13526 1/20 0.34

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
SCHEMBL13638951 0.95 PDCD1 (0.40) KMT2AMCHR1ACKR3POLBPARP1
SCHEMBL13634886 0.94 ACKR3 (0.38) MCHR1ACKR3PARP1TNK1GRM2
SCHEMBL2770055 0.94 PARP1 (0.38) KMT2AMCHR1ACKR3POLBPARP1
SCHEMBL13638912 0.94 KMT2A (0.47) KMT2AF10
SCHEMBL13639003 0.90 PIN1 (0.37) KMT2ASCDSCD5PIN1
SCHEMBL13638771 0.90 SCD (0.36) KMT2AMCHR1PARP1TNK1PDCD1
SCHEMBL2772043 0.90 KMT2A (0.48) KMT2AF10
SCHEMBL2770504 0.90 PIN1 (0.37) KMT2ASCDSCD5PIN1
SCHEMBL2770606 0.90 PIN1 (0.37) KMT2ASCDSCD5PIN1
SCHEMBL13638948 0.89 SCD (0.34) SCDSCD5GPR6PIN1

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-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed