SCHEMBL10366454

SCHEMBL10366454

CNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 2/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CCR1 P32246 7/20 0.52
KEAP1 Q14145 2/20 0.49
NFE2L2 Q16236 2/20 0.49
ITGB3 P05106 4/20 0.48
ITGA2B P08514 4/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL10367046 0.88 KDM4E (0.57) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL10364516 0.87 CCR1 (0.51) KDM4EALDH1A1POLBSMN1; SMN2CCR1
SCHEMBL10365138 0.87 CCR1 (0.56) MAPTCCR1
SCHEMBL10367084 0.86 ALDH1A1 (0.76) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL10365382 0.85 CCR1 (0.49) POLBCCR1KMT2A
SCHEMBL2296037 0.85 POLB (0.74) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL10367005 0.84 KDM4E (0.53) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL10365693 0.84 ELANE (0.51) KDM4EALDH1A1POLBSMN1; SMN2CCR1
SCHEMBL2859642 0.82 CCR1 (0.73) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2854432 0.82 CCR1 (0.68) CCR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0151866-B1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES ELI LILLY AND COMPANY (US) 1990-07-25 EP disclosed
US-4620865-A Herbicidal and algicidal 1,5-disubstituted-1H-pyrazole-4-carboxamides ELI LILLY AND COMPANY (US) 1986-11-04 US disclosed
EP-0151866-A2 Herbicidal pyrazole-(thio)-carboxamides ELI LILLY AND COMPANY (US) 1985-08-21 EP disclosed