SCHEMBL8309953

SCHEMBL8309953

CSc1c(Cl)ccc(C(=O)NC(C)(C)CO)c1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.39
APEX1 P27695 1/20 0.38
CNR2 P34972 7/20 0.37
CNR1 P21554 6/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ATM Q13315 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
ACVR1B P36896 1/20 0.34
TGFBR1 P36897 1/20 0.34
NTRK1 P04629 1/20 0.34
HSD17B10 Q99714 2/20 0.33
NOTUM Q6P988 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL17409984 0.84 CNR2 (0.36) KMT2ACNR2CNR1NPC1RAB9A
SCHEMBL8306835 0.79 HSD17B10 (0.39) POLBKMT2AHPGDNTRK1HSD17B10
SCHEMBL15757732 0.76 CES2 (0.47) POLBAPEX1CNR2CNR1NPC1
SCHEMBL6421805 0.75 HPGD (0.51) POLBAPEX1CNR2CNR1NPC1
SCHEMBL8307823 0.74 ALDH1A1 (0.37) KMT2AATMHPGDSMN1; SMN2HSD17B10
SCHEMBL8391857 0.74 ALDH1A1 (0.40) POLBKMT2ANPC1RAB9AHPGD
SCHEMBL8391653 0.73 ABL1 (0.41) KMT2ANPC1RAB9AHPGDSMN1; SMN2
SCHEMBL8309958 0.72 HSD17B10 (0.39) KMT2AHPGDSMN1; SMN2HSD17B10TSHR
SCHEMBL8465283 0.72 CES2 (0.49) POLBKMT2ACNR2CNR1NPC1
SCHEMBL27413434 0.71 POLB (0.55) POLBKMT2ACNR2NPC1RAB9A

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-0918056-A1 Herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1999-05-26 EP disclosed