SCHEMBL4411499

SCHEMBL4411499

c1csc(CNc2nc3ncncc3[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.52
CYP1A2 P05177 12/20 0.46
CYP2D6 P10635 12/20 0.46
CYP3A4 P08684 11/20 0.46
CYP2C19 P33261 10/20 0.46
ALDH1A1 P00352 8/20 0.46
TSHR P16473 8/20 0.46
MAPK1 P28482 6/20 0.46
CYP2C9 P11712 6/20 0.46
HSD17B10 Q99714 5/20 0.46
ALOX15 P16050 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
CLK4 Q9HAZ1 5/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL16169 0.79 PI4KA (0.59) PNPCYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL15691 0.77 PNP (0.52) PNPCYP1A2ALDH1A1TSHRMAPK1
SCHEMBL10644622 0.72 NPC1 (0.60) ALDH1A1TSHRMAPK1HSD17B10MEN1
SCHEMBL5940015 0.71 HDAC3 (0.55) CYP1A2CYP2D6CYP3A4CYP2C19ALDH1A1
SCHEMBL6885722 0.71 PI4KA (0.37) ALDH1A1ALOX15MEN1KMT2ASMN1; SMN2
SCHEMBL5934354 0.71 RIPK1 (0.40) ALDH1A1TSHRKDM4E
SCHEMBL432903 0.70 ALDH1A1 (0.40) ALDH1A1MAPK1HSD17B10MEN1KMT2A
SCHEMBL28053447 0.70 METAP1 (0.55) CYP1A2CYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL10877514 0.69 CYP1A2 (0.61) CYP1A2CYP2D6CYP3A4CYP2C19ALDH1A1
SCHEMBL3653049 0.69 PI4KA (0.37) PNPCYP2D6CYP2C19CYP2C9

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
US-5654255-A MIXTURE OF A N,N-DIMETHYLPIPERIDINIUM SALT, HEXITOL AND CYTOKININ; COTTON PLANTS BASF CORPORATION (US) 1997-08-05 US claimed
US-7634870-B1 Cytokinin enhancement of cotton THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2009-12-22 US disclosed
US-4718936-A PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1988-01-12 US disclosed
EP-0154937-A2 6-(3-Thienylmethylamino)-purin, process for its preparation and its use BASF Aktiengesellschaft (DE) 1985-09-18 EP disclosed