SCHEMBL10854103

SCHEMBL10854103

N=C(NC(=O)Nc1cccnc1)NC1CCC1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.70
▸ ALDH1A1 P00352 4/20 0.56
▸ EPHX2 P34913 3/20 0.52
▸ FPR2 P25090 1/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ EPHX1 P07099 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ FLT4 P35916 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NAMPT P43490 1/20 0.45
▸ TSHR P16473 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
SCHEMBL10853163 0.96 POLB (0.76) POLBALDH1A1EPHX2FPR2RAB9A
SCHEMBL10756515 0.90 POLB (0.70) POLBALDH1A1EPHX2FPR2RAB9A
SCHEMBL10753428 0.86 POLB (0.76) POLBALDH1A1EPHX2FPR2RAB9A
SCHEMBL10857079 0.78 RAB9A (0.57) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL10857089 0.77 RAB9A (0.54) POLBALDH1A1FPR2RAB9AMEN1
SCHEMBL9903230 0.75 ALDH1A1 (0.54) POLBALDH1A1EPHX2
SCHEMBL22659944 0.75 POLB (0.75) POLBALDH1A1EPHX2RAB9AMEN1
SCHEMBL10855620 0.75 CDK2 (0.56) POLBALDH1A1FPR2RAB9AMEN1
SCHEMBL10857581 0.75 RAB9A (0.54) POLBALDH1A1RAB9AMEN1KMT2A
SCHEMBL9902657 0.74 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4565826-A HYPOTENSIVE, CARDIONASCULAR, ANTIULCER, ANTISECRETORY, GASTROINTESTINAL DISORDERS WILLIAM H. RORER, INC. (US) 1986-01-21 — — US disclosed
US-4436911-A HYPOTENSIVE, ANTISPASMODIC, ANTIULCER, ANTIPARASITIC WILLIAM H. RORER, INC. (US) 1984-03-13 — — US disclosed
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