SCHEMBL7960684

SCHEMBL7960684

Cn1nc(-c2cc(C(=O)Cl)c(Cl)cc2F)c(Cl)c1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 10/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
SCN9A Q15858 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
P2RX7 Q99572 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL4067277 0.90 NTRK1 (0.37) NTRK1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL30130323 0.85 MEN1 (0.33) NTRK1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL27320851 0.84 MAPT (0.34) NTRK1MAPTLMNASMN1; SMN2
SCHEMBL7960874 0.84 NTRK1 (0.38) NTRK1POLBAPEX1MAPT
SCHEMBL27561461 0.84 ALPL (0.36) NTRK1SMN1; SMN2
SCHEMBL7615238 0.82 MEN1 (0.36) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL8564686 0.82 MEN1 (0.36) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7591610 0.81 MEN1 (0.32) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL7960676 0.81 MEN1 (0.32) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL8546587 0.81 RORC (0.36) NTRK1SCN9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6197973-B1 HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed