SCHEMBL23571997

SCHEMBL23571997

COC(C)c1cnc2cc(C(C)C)nn2c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RECQL P46063 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
SCHEMBL13086734 0.85 NPC1 (0.36) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL23534840 0.79 KDM4E (0.51) LMNARAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL25680979 0.75 NPC1 (0.42) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1993552 0.73 TDP1 (0.44) LMNARAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL23502135 0.71 NPC1 (0.35) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL26859104 0.70 SMN1; SMN2 (0.53) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL25017791 0.70 KDM4E (0.38) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL24967875 0.69 NPC1 (0.34) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL24869559 0.69 NPC1 (0.39) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL12615901 0.69 SMN1; SMN2 (0.51) LMNANPC1RAB9ASMN1; SMN2KDM4E

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
WO-2021126729-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-24 WO disclosed