SCHEMBL3358588

SCHEMBL3358588

Cc1cc(NN)sn1.Cc1cc(NN)sn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
HTR2C P28335 2/20 0.36
HTR2A P28223 1/20 0.36
RIPK1 Q13546 1/20 0.35
NPC1 O15118 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
THPO P40225 1/20 0.34
HTR2B P41595 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
SCHEMBL12564722 0.78
SCHEMBL10138654 0.76
SCHEMBL11886174 0.73 IRAK4 (0.39) SMARCA2SMARCA4HTR2CHTR2ARIPK1
SCHEMBL12497254 0.73
SCHEMBL12410765 0.73 SYK (0.37) SMARCA2SMARCA4HTR2CHTR2ARIPK1
SCHEMBL11129213 0.73 SMARCA2 (0.49) SMARCA2SMARCA4HTR2CHTR2ARIPK1
SCHEMBL2440296 0.71
SCHEMBL14538421 0.71
SCHEMBL3772534 0.71 SMARCA2 (0.51) SMARCA2SMARCA4HTR2CHTR2ARIPK1
SCHEMBL6633482 0.70 SMARCA2 (0.50) SMARCA2SMARCA4HTR2CHTR2ARIPK1

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
EP-2373648-B1 SUBSTITUTED 1-(THIAZOLYL)- AND 1-(ISOTHIAZOLYL)PYRAZOL-4-YL ACETIC ACIDS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER IP GMBH (DE) 2016-03-23 EP disclosed
EP-2194052-A1 Substituted 1.(1-thiazolyl)- and 1-(isothiazolyl)pyrazol-4-yl acetic acids, method for their production and their use as herbicides and plant growth regulators Bayer CropScience AG (DE) 2010-06-09 EP disclosed