SCHEMBL30097461

SCHEMBL30097461

O=C(Nc1ccccc1)c1cc(Cl)cc(Nc2cccc(F)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 2/20 0.47
CNR2 P34972 1/20 0.46
ABCC1 P33527 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
KCNK3 O14649 1/20 0.46
HTT P42858 1/20 0.45
TSHR P16473 1/20 0.45
KDR P35968 1/20 0.43

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
SCHEMBL23413086 1.00 RAB9A (0.51) RAB9ANPC1HPGDMEN1KMT2A
SCHEMBL23413371 0.88 SMN1; SMN2 (0.52) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL30097521 0.88 SMN1; SMN2 (0.52) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL30097507 0.86 NPC1 (0.50) RAB9ANPC1HPGDMEN1KMT2A
SCHEMBL23412909 0.86 NPC1 (0.50) RAB9ANPC1HPGDMEN1KMT2A
SCHEMBL23412804 0.86 NPC1 (0.50) RAB9ANPC1HPGDMEN1KMT2A
SCHEMBL30097504 0.86 SMN1; SMN2 (0.53) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL23412914 0.86 SMN1; SMN2 (0.53) RAB9ANPC1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL23412900 0.85 NPC1 (0.49) RAB9ANPC1HPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL30097556 0.85 NPC1 (0.49) RAB9ANPC1HPGDMEN1KMT2A

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
CN-115348959-B Heteroaryl compounds and their therapeutic use in conditions associated with altered beta-glucocerebrosidase activity GT增益治疗股份有限公司 2025-01-07 CN disclosed
CN-115348959-A Heteroaryl compounds and their therapeutic use in disorders associated with altered beta-glucocerebrosidase activity 增益治疗股份有限公司 2022-11-15 CN disclosed