SCHEMBL21020935

SCHEMBL21020935

C=C(Nc1ccccc1C)c1cc([N+](=C)C)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.54
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL21021288 0.83 SMN1; SMN2 (0.43) RORCMAPTSMN1; SMN2LMNAPOLB
SCHEMBL21022158 0.82 RORC (0.47) RORCMAPTSMN1; SMN2LMNAPOLB
SCHEMBL21021868 0.73 SMN1; SMN2 (0.46) MAPTSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL18148116 0.70 RORC (1.00) RORCMAPTSMN1; SMN2LMNAPOLB
SCHEMBL21021155 0.67 GAA (0.61) MAPTSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL14328942 0.66 POLB (0.50) MAPTLMNAPOLBALDH1A1HPGD
SCHEMBL18160281 0.65 RORC (0.67) RORCMAPTSMN1; SMN2LMNAPOLB
SCHEMBL27293846 0.65 HPGD (0.61) MAPTSMN1; SMN2POLBALDH1A1HPGD
SCHEMBL21021569 0.65 TAS1R3 (0.44) MAPTSMN1; SMN2LMNAALDH1A1TAS1R3
SCHEMBL13433106 0.64 NPC1 (0.61) LMNAPOLBALDH1A1HPGDNPC1

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
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed