SCHEMBL9615669

SCHEMBL9615669

CC(C(=O)O)(c1ccccc1)n1ccnn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
CYP19A1 P11511 6/20 0.36
CYP1A2 P05177 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP2D6 P10635 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
SCHEMBL27621808 0.79 KCNN4 (0.45) KMT2AMAPTKDM4ECYP2C19HIF1A
SCHEMBL11017596 0.78 CYP19A1 (0.40) KMT2ACYP19A1
SCHEMBL27647786 0.76 CYP19A1 (0.39) KMT2AMAPTKDM4ECYP2C19HIF1A
SCHEMBL24418137 0.75 LMNA (0.42) CYP19A1
SCHEMBL9615702 0.75 CYP1A2 (0.40) KMT2AMAPTKDM4ECYP2C19CYP1A2
SCHEMBL10503507 0.74 KMT2A (0.37) KMT2AKDM4ECYP2C19CYP19A1
SCHEMBL12989399 0.74 CYP19A1 (0.40) KMT2ACYP2C19HIF1ACYP19A1CYP1A2
SCHEMBL7796676 0.73 CYP11B1 (0.46) KMT2AMAPTCYP2C19HIF1ACYP19A1
SCHEMBL2754330 0.72 BLM (0.38) KMT2AMAPTHDAC6CYP2D6
SCHEMBL20514257 0.71 CYP2C19 (0.40) KMT2ACYP2C19HIF1ACYP19A1CYP1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4154770-A None JP disclosed
JP-4164084-A None JP disclosed
JP-H04164084-A TRIAZOLE DERIVATIVE AND AGRICULTURAL AND HORTICULTURAL GERMICIDE HOKKO CHEM IND CO LTD 1992-06-09 JP disclosed
JP-H04154770-A TRIAZOLECARBOXLIC ACID AMIDE DERIVATIVE AND AGRICULTURAL AND HORTICULTURAL GERMICIDE HOKKO CHEM IND CO LTD 1992-05-27 JP disclosed