SCHEMBL28850749

SCHEMBL28850749

Cn1ccc(=O)c2cc(F)c(N3CCC(CCN)CC3)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 3/20 0.40
▸ PRKCA P17252 2/20 0.36
▸ PRKCQ Q04759 2/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ SIRT3 Q9NTG7 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TNKS O95271 2/20 0.35
▸ TNKS2 Q9H2K2 2/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ATP6V1B2 P21281 1/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ EDNRA P25101 1/20 0.34
▸ TARBP2 Q15633 1/20 0.34
▸ SUV39H2 Q9H5I1 4/20 0.34
▸ KDM1A O60341 1/20 0.34

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
SCHEMBL16212997 0.79 LMNA (0.55) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL28175727 0.71 IRAK1 (0.38) —
SCHEMBL10700965 0.71 KMT2A (0.35) PRKCAPRKCQKMT2ALMNACYP2C9
SCHEMBL30420655 0.70 LMNA (0.47) HRH4KMT2ALMNACYP2C9ATP6V1B2
Hydrochloric Acid SCHEMBL16212854 0.69 DPP4 (0.60) KMT2ACYP1A2LMNACYP2C9ATP6V1B2
SCHEMBL10653576 0.68 KMT2A (0.49) PRKCAPRKCQHRH4KMT2A
SCHEMBL30561558 0.68 LMNA (0.62) PRKCAPRKCQHRH4LMNACYP2C9
SCHEMBL10774710 0.68 LMNA (0.62) PRKCAPRKCQHRH4LMNACYP2C9
SCHEMBL9437381 0.66 LMNA (0.66) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL8803740 0.65 KMT2A (0.53) HRH4KMT2ALMNA

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-105189520-B Carbostyril derivative 埃科特莱茵药品有限公司 2017-10-10 — — CN disclosed
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