SCHEMBL9017235

SCHEMBL9017235

O=C(NCC(F)(F)F)c1cccc(Oc2ccccn2)n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.46
SCN10A Q9Y5Y9 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.44
ULK1 O75385 1/20 0.41
GABRA5 P31644 3/20 0.41
P2RX3 P56373 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL16058225 0.81 LOXL2 (0.58) LOXL2SMN1; SMN2KMT2A
SCHEMBL30131477 0.81 LOXL2 (0.58) LOXL2SMN1; SMN2KMT2A
SCHEMBL26786803 0.79 P2RX7 (0.51) SCN9ASCN10ALOXL2ULK1
SCHEMBL9017207 0.75 LMNA (0.56) P2RX3KMT2A
SCHEMBL7963938 0.73 ALDH1A1 (0.42) SCN9ASCN10AULK1KMT2A
SCHEMBL12678026 0.73 P2RX7 (0.61) SCN9ASCN10ALOXL2ULK1
SCHEMBL30469338 0.73 ALDH1A1 (0.60) SCN9ASCN10ALOXL2ULK1
SCHEMBL19075361 0.70 KMT2A (0.55) SMN1; SMN2KMT2A
SCHEMBL12129562 0.69 KDM4E (0.58) SCN9ASMN1; SMN2
SCHEMBL27202071 0.68 P2RX7 (0.60) LOXL2ULK1KMT2A

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-0537816-B1 Herbicidal picolinamide derivatives SHELL INT RESEARCH (NL) 1996-04-24 EP disclosed
US-5371061-A Herbicidal picolinamide derivatives AMERICAN CYANAMID COMPANY (US) 1994-12-06 US disclosed
EP-0537816-A1 Herbicidal picolinamide derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-04-21 EP disclosed