SCHEMBL27914432

SCHEMBL27914432

NC(=O)CC(=O)N(O)Cc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.53
▸ CYP1A2 P05177 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CHRNB2 P17787 2/20 0.47
▸ CHRNA4 P43681 2/20 0.47
▸ NAPRT Q6XQN6 1/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ RIPK1 Q13546 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ FES P07332 1/20 0.41
▸ RET P07949 1/20 0.41
▸ MARK3 P27448 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ FLT4 P35916 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
SCHEMBL27368695 0.80 KMT2A (0.56) RECQLCYP1A2CYP3A4CYP2C9CHRNB2
SCHEMBL23932686 0.74 CYP1A2 (0.63) RECQLCYP1A2CYP3A4CYP2C9NAPRT
SCHEMBL22289330 0.74 RECQL (0.54) RECQLCYP1A2CYP3A4CYP2C9CHRNB2
SCHEMBL794394 0.73 NAPRT (0.69) RECQLCYP1A2CYP3A4CYP2C9NAPRT
SCHEMBL29701327 0.73 NAPRT (0.69) RECQLCYP1A2CYP3A4CYP2C9NAPRT
SCHEMBL525354 0.73 RECQL (0.53) RECQLCYP1A2CYP3A4CYP2C9CHRNB2
SCHEMBL8470996 0.73 RIPK1 (0.62) RECQLCYP1A2CYP3A4CYP2C9CHRNB2
SCHEMBL7417227 0.72 CYP1A2 (0.59) RECQLCYP1A2CYP3A4CYP2C9NAPRT
Hydrochloric Acid SCHEMBL2673018 0.72 NAPRT (0.67) RECQLCYP1A2CYP3A4CYP2C9NAPRT
SCHEMBL10400431 0.71 NAPRT (0.56) RECQLCYP1A2CYP3A4CYP2C9CHRNB2

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-103003233-A Novel hydroxamic acid derivative TAISHO PHARMACEUTICAL CO LTD 2013-03-27 — — CN disclosed
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