SCHEMBL9862017

SCHEMBL9862017

O=C(O)Oc1ccc(C(F)(F)F)cn1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
RAB9A P51151 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.51
LIPE Q05469 11/20 0.50
KMT2A Q03164 2/20 0.50
BCHE P06276 1/20 0.49
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL20626652 0.84 LIPE (0.67) LMNARAB9ALIPEBCHEMAPT
SCHEMBL10435427 0.84 RAB9A (0.50) LMNARAB9AMRGPRX4LIPEKMT2A
SCHEMBL6634752 0.84 KMT2A (0.57) LMNARAB9AMRGPRX4LIPEKMT2A
SCHEMBL27906089 0.84 LMNA (0.54) LMNARAB9AMRGPRX4LIPEKMT2A
SCHEMBL27653581 0.82 LMNA (0.56) LMNARAB9AMRGPRX4LIPEKMT2A
SCHEMBL16712287 0.82 SMN1; SMN2 (0.42) LMNARAB9ALIPEKMT2AMAPT
SCHEMBL217941 0.80 TSHR (0.50) LMNARAB9AMRGPRX4LIPEKMT2A
SCHEMBL31387018 0.80 KMT2A (0.47) LMNARAB9AMRGPRX4LIPEKMT2A
SCHEMBL20808089 0.79 MRGPRX4 (0.56) LMNARAB9AMRGPRX4LIPEKMT2A
SCHEMBL60180 0.79 NPC1 (0.59) LMNARAB9AMRGPRX4LIPEKMT2A

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
EP-0034917-B1 2-SUBSTITUTED-5-TRIFLUOROMETHYLPYRIDINES AND A PROCESS FOR PRODUCING THE SAME ISHIHARA SANGYO KAISHA LTD. (JP) 1984-08-08 EP claimed
EP-0428483-A1 Synergistic agent and method of selective weed control CIBA-GEIGY AG (CH) 1991-05-22 EP disclosed