SCHEMBL13465197

SCHEMBL13465197

Bc1cccc(C(=O)NCC2CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.52
HIF1A Q16665 1/20 0.49
MLLT1 Q03111 1/20 0.48
NAPEPLD Q6IQ20 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL30233600 0.83 HIF1A (0.53) CNR1HIF1AMLLT1NAPEPLDLMNA
SCHEMBL3507196 0.82 ALDH1A1 (0.58) CNR1HIF1AMLLT1NAPEPLDMEN1
SCHEMBL12468830 0.82 CNR1 (0.49) CNR1HIF1AMLLT1NAPEPLDNPC1
SCHEMBL12956081 0.78 PARP1 (0.49) CNR1LMNANPC1
SCHEMBL1507146 0.75 POLB (0.64) CNR1HIF1AMEN1KMT2A
SCHEMBL26451554 0.74 POLB (0.53) CNR1HIF1AMEN1KMT2ACKS1B
Hydrochloric Acid SCHEMBL30951167 0.74 POLB (0.63) CNR1HIF1AMEN1KMT2A
SCHEMBL12469013 0.73 PRKCQ (0.53) NAPEPLDMEN1KMT2ACKS1BSKP1
SCHEMBL24151174 0.72 P2RX7 (0.51) CNR1NAPEPLD
SCHEMBL30232755 0.72 CNR1 (0.45) CNR1HIF1AMLLT1MEN1KMT2A

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
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed