SCHEMBL30440441

SCHEMBL30440441

Cc1cccc(NC(=O)CCl)n1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.66
NPC1 O15118 5/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
GRM5 P41594 2/20 0.63
KMT2A Q03164 4/20 0.58
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.58
MAPT P10636 2/20 0.57
MEN1 O00255 2/20 0.56
TSHR P16473 1/20 0.56
GBA1 P04062 2/20 0.55

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
SCHEMBL2190227 1.00 RAB9A (0.66) RAB9ANPC1SMN1; SMN2GRM5KMT2A
SCHEMBL13841479 0.84 RAB9A (0.68) RAB9ANPC1SMN1; SMN2GRM5KMT2A
SCHEMBL8240316 0.84 RAB9A (0.71) RAB9ANPC1SMN1; SMN2GRM5KMT2A
SCHEMBL20095383 0.84 RAB9A (0.58) RAB9ANPC1SMN1; SMN2GRM5KMT2A
SCHEMBL9885823 0.83 ALDH1A1 (0.67) RAB9ANPC1SMN1; SMN2GRM5KMT2A
SCHEMBL10665125 0.83 RAB9A (0.66) RAB9ANPC1SMN1; SMN2GRM5KMT2A
SCHEMBL2578961 0.81 ALDH1A1 (0.71) RAB9ANPC1SMN1; SMN2GRM5KMT2A
SCHEMBL13026590 0.80 SMN1; SMN2 (0.81) RAB9ANPC1SMN1; SMN2GRM5KMT2A
SCHEMBL31725239 0.80 RAB9A (0.78) RAB9ANPC1SMN1; SMN2GRM5KMT2A
SCHEMBL14353530 0.80 RAB9A (1.00) RAB9ANPC1SMN1; SMN2GRM5KMT2A

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
CN-116438167-A Compounds having O-GlcNAc enzyme inhibitory activity and uses thereof 美迪福伦DBT有限公司 2023-07-14 CN disclosed