SCHEMBL10613656

SCHEMBL10613656

C=CC[N]C(C)(C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
CYP3A4 P08684 1/20 0.32
KCNN4 O15554 1/20 0.32

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
SCHEMBL1501852 0.72 TAAR1 (0.52) TAAR1MAPK1ALDH1A1TSHRHTT
SCHEMBL8631737 0.71 CYP3A4 (0.43) TAAR1MAPK1ALDH1A1MAPTCYP2C19
SCHEMBL11005669 0.71 KIF11 (0.44) ALDH1A1TSHRHTTALOX15SMN1; SMN2
SCHEMBL15153365 0.71 MAPT (0.47) TAAR1MAPK1ALDH1A1TSHRHTT
SCHEMBL10865897 0.69 TAAR1 (0.48) TAAR1MAPK1ALDH1A1TSHRHTT
SCHEMBL8198683 0.69 MAPK1 (0.44) TAAR1MAPK1ALDH1A1TSHRMAPT
SCHEMBL1591769 0.68 ALDH1A1 (0.52) TAAR1MAPK1ALDH1A1TSHRHTT
SCHEMBL11856722 0.68 KDM4E (0.41) TAAR1MAPK1ALDH1A1TSHRHTT
SCHEMBL3447537 0.68 MAPK1 (0.48) TAAR1MAPK1ALDH1A1TSHRMAPT
SCHEMBL3447538 0.68 MAPK1 (0.48) TAAR1MAPK1ALDH1A1TSHRMAPT

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
JP-63211260-A None JP disclosed
JP-S63211260-A NOVEL UREA OR THIOUREA DERIVATIVE, PRODUCTION THEREOF AND HERBICIDE CONTAINING SAID DERIVATIVE YASHIMA CHEM IND CO LTD 1988-09-02 JP disclosed