SCHEMBL9453039

SCHEMBL9453039

N#Cc1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1/C=C/C(=O)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
HPGD P15428 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
KMT2A Q03164 3/20 0.40
MAPT P10636 5/20 0.40
NPSR1 Q6W5P4 3/20 0.40
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
MALT1 Q9UDY8 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL9453042 1.00 ALDH1A1 (0.42) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6950363 0.92 HPGD (0.49) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8188674 0.92 HPGD (0.49) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL9453044 0.91 HPGD (0.48) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9453119 0.91 SMN1; SMN2 (0.43) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9453122 0.91 SMN1; SMN2 (0.43) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9453070 0.88 SMN1; SMN2 (0.43) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9453068 0.88 SMN1; SMN2 (0.43) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9453109 0.88 ALDH1A1 (0.41) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9453108 0.88 ALDH1A1 (0.41) ALDH1A1KDM4ENPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250504-A Pre- and postemergence FMC CORPORATION (US) 1993-10-05 US disclosed
US-5198014-A Herbicidal beta-pyrazolylacrylic acid compound FMC CORPORATION (US) 1993-03-30 US disclosed