SCHEMBL30597964

SCHEMBL30597964

O=C1CCC(C(=O)Nc2ccc3cc[nH]c3n2)N1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ POLB P06746 1/20 0.44
▸ HPGDS O60760 1/20 0.44
▸ CSNK1D P48730 1/20 0.38
▸ CSNK1E P49674 1/20 0.38
▸ PARP1 P09874 2/20 0.37
▸ ABL1 P00519 2/20 0.37
▸ BUB1 O43683 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ JAK1 P23458 4/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NAMPT P43490 1/20 0.35

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
SCHEMBL30009820 0.81 HPGD (0.57) ABL1HPGDJAK1NPC1RAB9A
SCHEMBL30597983 0.80 SLC5A1 (0.39) ABL1HPGD
SCHEMBL30597949 0.79 SLC5A1 (0.39) ABL1HPGDJAK1JAK2NPC1
SCHEMBL29697316 0.78 ROCK2 (0.51) ABL1HPGDNPC1RAB9A
SCHEMBL21961535 0.73 CTSC (0.38) ABL1HPGDJAK1NPC1RAB9A
SCHEMBL21874330 0.71 APP (0.41) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL2222163 0.69 POLB (0.63) SMN1; SMN2MEN1KMT2APOLBHPGDS
SCHEMBL2222173 0.69 POLB (0.63) SMN1; SMN2MEN1KMT2APOLBHPGDS
SCHEMBL2334270 0.68 MEN1 (0.61) SMN1; SMN2MEN1KMT2APOLBHPGDS
SCHEMBL29549442 0.68 MEN1 (0.61) SMN1; SMN2MEN1KMT2APOLBHPGDS

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-4010080-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LTD (GB) 2023-09-27 — — EP claimed
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