SCHEMBL11187447

SCHEMBL11187447

CC1CCC(NC(C=Cc2ccc(Cl)cc2)=NC#N)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.44
▸ POLB P06746 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPK1 P28482 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NLRP3 Q96P20 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CNR1 P21554 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ GAA P10253 1/20 0.33

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
SCHEMBL11187443 1.00 USP2 (0.44) USP2POLBL3MBTL1MAPK1BLM
SCHEMBL11186330 0.87 NPSR1 (0.45) USP2POLBL3MBTL1KMT2ANLRP3
SCHEMBL11179693 0.87 CNR1 (0.39) POLBMAPK1KMT2ANPC1RAB9A
SCHEMBL11186332 0.87 NPSR1 (0.45) USP2POLBL3MBTL1KMT2ANLRP3
SCHEMBL11194423 0.87 CNR1 (0.39) POLBMAPK1KMT2ANPC1RAB9A
SCHEMBL11178351 0.85 RAB9A (0.45) KMT2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL11178349 0.85 RAB9A (0.45) KMT2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL11182904 0.81 RAB9A (0.48) POLBL3MBTL1KMT2ANPC1RAB9A
SCHEMBL11182907 0.81 RAB9A (0.48) POLBL3MBTL1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL11183700 0.80 USP2 (0.47) USP2POLBL3MBTL1MAPK1BLM

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
US-4407816-A ANTIULCER KOTOBUKI SEIYAKU COMPANY LIMITED (JP) 1983-10-04 — — US disclosed
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