SCHEMBL14537027

SCHEMBL14537027

CC(=O)C(Cc1cccnc1)NC(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 2/20 0.48
▸ FDPS P14324 1/20 0.48
▸ PKM P14618 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NAPRT Q6XQN6 1/20 0.45
▸ LMNA P02545 3/20 0.45
▸ NLRP3 Q96P20 1/20 0.45
▸ RECQL P46063 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ ECE1 P42892 1/20 0.43
▸ POLB P06746 1/20 0.42

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
SCHEMBL22147478 1.00 TBXAS1 (0.48) TBXAS1FDPSPKMKMT2ANAPRT
SCHEMBL13957293 0.88 TBXAS1 (0.55) TBXAS1FDPSPKMKMT2ANAPRT
SCHEMBL14511421 0.87 TBXAS1 (0.47) TBXAS1FDPSPKMKMT2ANAPRT
SCHEMBL13934329 0.85 TBXAS1 (0.50) TBXAS1FDPSPKMKMT2ANAPRT
SCHEMBL14898388 0.85 TBXAS1 (0.50) TBXAS1FDPSPKMKMT2ANAPRT
SCHEMBL12220088 0.85 TBXAS1 (0.50) TBXAS1FDPSPKMKMT2ANAPRT
SCHEMBL13154997 0.81 FDPS (0.47) TBXAS1FDPSPKMKMT2ANAPRT
SCHEMBL16252309 0.81 LMNA (0.53) PKMLMNACYP1A2CYP2C9ALDH1A1
SCHEMBL13233695 0.81 LMNA (0.53) PKMLMNACYP1A2CYP2C9ALDH1A1
SCHEMBL14864793 0.80 NLRP3 (0.48) TBXAS1FDPSPKMKMT2ANAPRT

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-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 — — US disclosed
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