SCHEMBL30748995

SCHEMBL30748995

C[C@@H]1C[C@H](C)CN(c2ncc(N3C(=O)C(C)(C)c4c(Cl)ncnc43)cc2F)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE1B Q01064 1/20 0.32
MAP2K7 O14733 1/20 0.31
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL30748990 0.88 MEN1 (0.31) NPC1ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL30748943 0.78
SCHEMBL30748737 0.72
SCHEMBL30749132 0.71 RAB9A (0.41) NPC1ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL82980 0.68 NPC1 (0.46) NPC1ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL82981 0.68 NPC1 (0.46) NPC1ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL30749100 0.67 PRKDC (0.42) ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL30749116 0.65 ACACB (0.37)
SCHEMBL30748905 0.64 ACACB (0.45) NPC1ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL29455297 0.64 NPC1 (0.41) NPC1ALDH1A1RAB9ASMN1; SMN2HPGD

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
EP-4565588-A1 BIOLOGICALLY ACTIVE COMPOUNDS AND METHODS THEREOF Suzhou Keen Therapeutics Co., Ltd. (CN) 2025-06-11 EP disclosed
WO-2023241620-A1 BIOLOGICALLY ACTIVE COMPOUNDS AND METHODS THEREOF SUZHOU KEEN THERAPEUTICS CO., LTD. (CN) 2023-12-21 WO disclosed