SCHEMBL9711547

SCHEMBL9711547

O=C1CC(c2ccccc2)NC(=O)C1C(=O)c1ccc(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LDHA P00338 4/20 0.41
HPGD P15428 1/20 0.39
HSD11B1 P28845 1/20 0.38
LDHB P07195 1/20 0.38
P2RX7 Q99572 3/20 0.38
KMT2A Q03164 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 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
SCHEMBL9711543 0.87 LDHA (0.44) LDHALDHBP2RX7ALDH1A1RAB9A
SCHEMBL9711615 0.86 LDHA (0.42) LDHALDHBKMT2AALDH1A1MEN1
SCHEMBL9711657 0.86 MRGPRX4 (0.42) LDHALDHBKMT2AALDH1A1MEN1
SCHEMBL9711591 0.84 MAPT (0.39) LDHAP2RX7KMT2A
SCHEMBL9711624 0.82 LDHA (0.41) LDHALDHBP2RX7KMT2AALDH1A1
SCHEMBL9711500 0.81 HSD11B1 (0.41) LDHAHSD11B1ALDH1A1NPC1RAB9A
SCHEMBL9711629 0.81 ALDH1A1 (0.38) LDHAHSD11B1LDHBKMT2AALDH1A1
SCHEMBL9711476 0.79 LDHA (0.44) LDHALDHBKMT2AALDH1A1MEN1
SCHEMBL9711698 0.78 KMO (0.43) LDHALDHB
SCHEMBL9711509 0.76 HPGD (0.43) HPGDKMT2AALDH1A1MEN1NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed