SCHEMBL29931972

SCHEMBL29931972

Fc1cc(Cl)ccc1N1CCC2(CC1)OCCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
FLT3 P36888 1/20 0.47
POLB P06746 3/20 0.44
NPC1 O15118 2/20 0.44
LGMN Q99538 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 5/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 2/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
GAA P10253 1/20 0.40
ALPG P10696 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL17543165 1.00 ATM (0.48) ATMFLT3POLBNPC1LGMN
SCHEMBL14485084 0.84 NPC1 (0.52) NPC1LGMNRAB9ALMNAMAPT
SCHEMBL30116237 0.83 SMN1; SMN2 (0.43) POLBLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL17542884 0.83 SMN1; SMN2 (0.43) POLBLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL24880834 0.82 ALDH1A1 (0.46) ATMNPC1LGMNRAB9ALMNA
SCHEMBL855383 0.82 ALDH1A1 (0.54) POLBNPC1LGMNRAB9ALMNA
SCHEMBL27452092 0.82 SMN1; SMN2 (0.45) NPC1LGMNRAB9AMAPTALDH1A1
SCHEMBL31312959 0.82 ALDH1A1 (0.54) POLBNPC1LGMNRAB9ALMNA
SCHEMBL31342133 0.80 NPC1 (0.43) ATMFLT3POLBNPC1LGMN
SCHEMBL17543845 0.80 NPC1 (0.43) ATMFLT3POLBNPC1LGMN

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-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed