SCHEMBL8513330

SCHEMBL8513330

CC(=O)Nc1ccccc1CC#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CFTR P13569 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 1/20 0.46
MAOA P21397 1/20 0.45
CYP2C19 P33261 2/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
SIRT1 Q96EB6 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 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
SCHEMBL28165041 0.84 ALDH1A1 (0.52) ALDH1A1HPGDMAPK1SMN1; SMN2TSHR
SCHEMBL27604777 0.83 ALDH1A1 (0.47) ALDH1A1HPGDMAPK1SMN1; SMN2TSHR
SCHEMBL11244132 0.83 ALDH1A1 (0.50) ALDH1A1HPGDMAPK1SMN1; SMN2TSHR
SCHEMBL7934022 0.80 CFTR (0.51) ALDH1A1CFTRHPGDSMN1; SMN2TSHR
SCHEMBL1644965 0.80 MAPK1 (0.59) ALDH1A1HPGDMAPK1SMN1; SMN2TSHR
SCHEMBL10649798 0.79 AR (0.48) ALDH1A1CFTRMAPK1SMN1; SMN2HTT
SCHEMBL30168125 0.78 ALDH1A1 (0.59) ALDH1A1HPGDMAPK1SMN1; SMN2TSHR
SCHEMBL3150784 0.78 ALDH1A1 (0.59) ALDH1A1HPGDMAPK1SMN1; SMN2TSHR
SCHEMBL7055476 0.78 ALDH1A1 (0.57) ALDH1A1HPGDMAPK1SMN1; SMN2TSHR
SCHEMBL14044724 0.77 ALDH1A1 (0.44) ALDH1A1CFTRHPGDMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135057-A1 ANTIPERSPIRANT COMPOSITIONS AND PRODUCTS HAVING A DISPERSED COOLING SENSATION AGENT AND METHODS FOR MAKING THE SAME THE DIAL CORPORATION (US) 2012-05-31 US claimed
US-20120134947-A1 ANTIPERSPIRANT COMPOSITIONS AND PRODUCTS HAVING COOLING SENSATION EFFECTS AND METHODS FOR MAKING THE SAME THE DIAL CORPORATION (US) 2012-05-31 US claimed
US-20120134947-A1 ANTIPERSPIRANT COMPOSITIONS AND PRODUCTS HAVING COOLING SENSATION EFFECTS AND METHODS FOR MAKING THE SAME THE DIAL CORPORATION (US) 2012-05-31 US disclosed
US-20120135057-A1 ANTIPERSPIRANT COMPOSITIONS AND PRODUCTS HAVING A DISPERSED COOLING SENSATION AGENT AND METHODS FOR MAKING THE SAME THE DIAL CORPORATION (US) 2012-05-31 US disclosed
US-3965139-A HERBICIDE DIAMOND SHAMROCK CORPORATION (US) 1976-06-22 US disclosed