SCHEMBL10170255

SCHEMBL10170255

NCc1ccc(COC(=O)N2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ TPSAB1 Q15661 5/20 0.50
▸ TPSD1 Q9BZJ3 5/20 0.50
▸ TPSG1 Q9NRR2 5/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ PRSS1 P07477 3/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ POLB P06746 1/20 0.46
▸ F2 P00734 1/20 0.43
▸ PLG P00747 1/20 0.43
▸ PRSS2 P07478 1/20 0.43
▸ PRSS3 P35030 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ GRIN2B Q13224 2/20 0.41
▸ GAA P10253 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
SCHEMBL8438044 0.87 SMN1; SMN2 (0.50) SMN1; SMN2TPSAB1TPSD1TPSG1MEN1
SCHEMBL19942398 0.84 KMT2A (0.57) SMN1; SMN2MEN1KMT2ANPSR1NPC1
SCHEMBL27797455 0.84 MEN1 (0.50) SMN1; SMN2TPSAB1TPSD1TPSG1MEN1
SCHEMBL543584 0.84 RAB9A (0.58) SMN1; SMN2MEN1KMT2ANPSR1CYP2C19
SCHEMBL543263 0.84 SMN1; SMN2 (0.59) SMN1; SMN2TPSAB1TPSD1TPSG1MEN1
SCHEMBL16825229 0.84 GRIN2B (0.54) SMN1; SMN2MEN1KMT2ANPSR1CYP2C19
SCHEMBL4710641 0.83 MEN1 (0.69) SMN1; SMN2MEN1KMT2ANPSR1CYP2C19
SCHEMBL6557909 0.83 MEN1 (0.69) SMN1; SMN2MEN1KMT2ANPSR1CYP2C19
SCHEMBL794423 0.83 MEN1 (0.69) SMN1; SMN2MEN1KMT2ANPSR1CYP2C19
Hydrochloric Acid SCHEMBL5270106 0.83 SMN1; SMN2 (0.50) SMN1; SMN2TPSAB1TPSD1TPSG1MEN1

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-2012054364-A2 BICYCLIC DIAMINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-04-26 — — WO disclosed
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