SCHEMBL9840089

SCHEMBL9840089

C[CH]c1ccc(OC(F)(F)F)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 2/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35
NPC1 O15118 1/20 0.33

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
SCHEMBL2093844 0.82 TUBB4A (0.36) L3MBTL1ALDH1A1POLBKDM4ETUBB4A
SCHEMBL7993684 0.81 ALDH1A1 (0.54) L3MBTL1ALDH1A1POLBKDM4ETUBB4A
SCHEMBL25401634 0.76 TUBB4A (0.54) KDM4ETUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7996271 0.75 CCR1 (0.43) L3MBTL1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL12949847 0.74 RXRA (0.39) L3MBTL1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL7909762 0.72 RUNX1 (0.40) L3MBTL1ALDH1A1KDM4EMAPTTSHR
SCHEMBL21671809 0.72 POLB (0.44) L3MBTL1POLBKDM4ERAB9AMAPT
SCHEMBL21503605 0.71 SMN1; SMN2 (0.39) L3MBTL1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL2093848 0.71 ENPP2 (0.40) CYP1A2CYP3A4CYP2C9CYP2C19ENPP2
SCHEMBL21223976 0.71 TRPV1 (0.33) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19

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-0212600-B1 NITROMETHYLENE DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 1991-11-27 EP disclosed
US-4772620-A MITICIDES, PARASITICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-09-20 US disclosed
EP-0212600-A2 Nitromethylene derivatives NIHON BAYER AGROCHEM K.K. (JP) 1987-03-04 EP disclosed