SCHEMBL30808533

SCHEMBL30808533

NC(=O)c1ccncc1.O=C(O)N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 2/20 0.45
▸ HPGD P15428 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ NAPRT Q6XQN6 1/20 0.44
▸ CYP17A1 P05093 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ CDC7 O00311 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ NAMPT P43490 2/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TDP1 Q9NUW8 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
Benzamide SCHEMBL23174921 0.82 HPGD (0.61) RECQLHPGDALDH1A1MAPK1CYP3A4
SCHEMBL2677744 0.81 KDM4E (0.57) RECQLHPGDALDH1A1KDM4EMAPK1
Benzamide SCHEMBL29730678 0.80 POLB (0.61) RECQLHPGDALDH1A1MAPK1CYP3A4
Carbamic Acid SCHEMBL29194228 0.79 NAPRT (0.61) RECQLHPGDALDH1A1NAPRTCYP17A1
SCHEMBL8582840 0.79 NAPRT (0.59) RECQLHPGDALDH1A1NAPRTCYP17A1
SCHEMBL44995 0.79 — —
SCHEMBL12490113 0.77 HPGD (0.72) RECQLHPGDALDH1A1KDM4EMAPK1
SCHEMBL30808538 0.77 GPR119 (0.55) HPGDPOLBMAPTMEN1KMT2A
Oxalic Acid SCHEMBL1648442 0.77 NAPRT (0.58) RECQLHPGDALDH1A1NAPRTCYP17A1
Hydrochloric Acid SCHEMBL5710616 0.77 CYP17A1 (0.57) RECQLHPGDALDH1A1NAPRTCYP17A1

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
CN-111801322-B Kinase inhibitors for the treatment of central and peripheral nervous system disorders 迈阿密大学 2024-03-15 — — CN disclosed
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