SCHEMBL9694661

SCHEMBL9694661

COc1cc(OC)nc(Oc2ccccc2C=C(C#N)C#N)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ MAPT P10636 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ LMNA P02545 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ PKM P14618 1/20 0.43

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
SCHEMBL9384688 0.81 CTSA (0.41) ALDH1A1NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL1532464 0.78 KDM4E (0.64) ALDH1A1MAPTKDM4ELMNAKMT2A
SCHEMBL7877115 0.77 CYP1A2 (0.55) ALDH1A1MAPTLMNAKMT2ANPSR1
SCHEMBL30615664 0.77 ALDH1A1 (0.61) ALDH1A1MAPTLMNAHTTNPSR1
SCHEMBL9384512 0.77 ALDH1A1 (0.61) ALDH1A1MAPTLMNAHTTNPSR1
SCHEMBL9384516 0.77 ALDH1A1 (0.61) ALDH1A1MAPTLMNAHTTNPSR1
SCHEMBL8713665 0.76 NPSR1 (0.45) ALDH1A1NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL8713667 0.76 NPSR1 (0.45) ALDH1A1NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL9767524 0.74 ALDH1A1 (0.48) ALDH1A1NPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL9767528 0.74 ALDH1A1 (0.48) ALDH1A1NPSR1CYP1A2CYP2C9CYP2C19

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-5167693-A Pre- and postemergence BAYER AKTIENGESELLSCHAFT (DE) 1992-12-01 — — US disclosed
EP-0459243-A2 Substituted Azines BAYER AG (DE) 1991-12-04 — — EP disclosed
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