SCHEMBL9788334

SCHEMBL9788334

CC1(C(=O)NCC(=O)NCc2ccc(Cl)cc2)CC1(Cl)Cl

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
HPGD P15428 3/20 0.50
GAA P10253 1/20 0.49
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.44
EPHX1 P07099 1/20 0.44

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
SCHEMBL9509533 0.89 SMN1; SMN2 (0.48) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL9508402 0.89 KMT2A (0.50) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL9788346 0.79 GPR139 (0.54) MEN1KMT2AHPGDGAASMN1; SMN2
SCHEMBL9788362 0.77 TAOK1 (0.51) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL19908168 0.72 MEN1 (0.62) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL1709315 0.72 HPGD (0.70) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL24576009 0.71 MEN1 (1.00) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL11295523 0.71 CA1 (0.56) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL9431727 0.71 KMT2A (0.63) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL9788344 0.70 KDM4E (0.46) ALDH1A1NPC1RAB9AHPGDSMN1; 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-5034408-A Fungicides of dihalocyclopropanoylamino acid amides BAYER AKTIENGESELLSCHAFT (DE) 1991-07-23 US claimed