SCHEMBL29168975

SCHEMBL29168975

C[C@@H](COc1cccc(Br)c1)OC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.50
▸ KDM4E B2RXH2 5/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ LMNA P02545 1/20 0.47
▸ KMT2A Q03164 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MRGPRX4 Q96LA9 1/20 0.44
▸ MAOB P27338 6/20 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
SCHEMBL29168977 1.00 HSD17B10 (0.50) HSD17B10KDM4EALDH1A1LMNAKMT2A
SCHEMBL31460425 0.82 MAPT (0.47) KDM4EALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL26662208 0.82 MAPT (0.47) KDM4EALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL29985682 0.82 MAOB (0.50) HSD17B10KDM4EALDH1A1LMNAKMT2A
SCHEMBL20535109 0.82 MAOB (0.50) HSD17B10KDM4EALDH1A1LMNAKMT2A
SCHEMBL20535111 0.82 MAOB (0.50) HSD17B10KDM4EALDH1A1LMNAKMT2A
SCHEMBL16012976 0.82 LMNA (0.55) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL18343122 0.80 HSD17B10 (0.50) HSD17B10KDM4EALDH1A1LMNAKMT2A
SCHEMBL28917337 0.79 LMNA (0.40) KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL28917335 0.79 LMNA (0.40) KDM4ELMNAMAPTSMN1; 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
CN-117377665-A PARP7 inhibitor and application thereof 北京华森英诺生物科技有限公司 2024-01-09 — — CN disclosed
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