SCHEMBL10753428

SCHEMBL10753428

N=C(NC(=O)NC1CCCCC1)Nc1cccnc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.76
▸ ALDH1A1 P00352 4/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ EPHX2 P34913 3/20 0.54
▸ EPHX1 P07099 3/20 0.52
▸ RAB9A P51151 2/20 0.51
▸ NAMPT P43490 1/20 0.50
▸ FPR2 P25090 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ TSHR P16473 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ NPC1 O15118 1/20 0.45

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
SCHEMBL10756515 0.96 POLB (0.70) POLBALDH1A1SMN1; SMN2EPHX2EPHX1
SCHEMBL10853163 0.90 POLB (0.76) POLBALDH1A1SMN1; SMN2EPHX2EPHX1
SCHEMBL10854103 0.86 POLB (0.70) POLBALDH1A1SMN1; SMN2EPHX2EPHX1
SCHEMBL10756618 0.77 RAB9A (0.54) ALDH1A1RAB9ANAMPTMEN1KMT2A
SCHEMBL4010312 0.75 EPHX2 (0.77) POLBALDH1A1EPHX2EPHX1RAB9A
SCHEMBL9903230 0.74 ALDH1A1 (0.54) POLBALDH1A1EPHX2
SCHEMBL10758782 0.74 RAB9A (0.50) ALDH1A1SMN1; SMN2RAB9ANAMPTMEN1
SCHEMBL10753478 0.74 CDK2 (0.52) POLBRAB9AMEN1KMT2ANPC1
SCHEMBL22659944 0.74 POLB (0.75) POLBALDH1A1SMN1; SMN2EPHX2EPHX1
SCHEMBL9902657 0.73 ALDH1A1 (0.52) POLBALDH1A1EPHX2

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-4707478-A ANTIPROTOZOA AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1987-11-17 — — US disclosed
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