SCHEMBL11299668

SCHEMBL11299668

O=C(Nc1cc(-c2cccc(C(F)(F)F)c2)on1)c1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
RORB Q92753 6/20 0.53
RORC P51449 4/20 0.53
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 2/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
ACR P10323 1/20 0.46
SMO Q99835 1/20 0.46
RPS6KA3 P51812 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
SCHEMBL11301214 0.89 RAB9A (0.55) SMN1; SMN2NPC1RAB9ARORBMAPT
SCHEMBL11271217 0.83 LMNA (0.46) SMN1; SMN2NPC1RAB9ARORBMAPT
SCHEMBL11293488 0.81 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C19
SCHEMBL11291758 0.81 IL2 (0.61) SMN1; SMN2CYP1A2CYP2C19MAPTLMNA
SCHEMBL11268396 0.81 GAA (0.50) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C19
SCHEMBL11292823 0.80 LMNA (0.46) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C19
SCHEMBL11300373 0.78 RAB9A (0.56) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL3455896 0.76 RXFP1 (0.88) SMN1; SMN2RXFP1MAPTLMNAALDH1A1
SCHEMBL30643207 0.75 EPAS1 (0.59) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C19
SCHEMBL31606893 0.75 RXFP1 (0.62) SMN1; SMN2RXFP1RORBRORCMAPT

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-4322429-A Isoxazolylbenzamides as insecticides ELI LILLY AND COMPANY (US) 1982-03-30 US claimed