SCHEMBL21021200

SCHEMBL21021200

C=C(Nc1cccc(-c2ccc(C)cc2)c1)C1C(c2cc(Cl)cc(Cl)c2)C1(C)Cl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
RECQL P46063 1/20 0.38
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MCHR1 Q99705 1/20 0.33
RAF1 P04049 1/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL21020662 0.80 MEN1 (0.31) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL21021121 0.78 MEN1 (0.48) MEN1KMT2AALDH1A1RECQLNPC1
SCHEMBL21021834 0.77 HTT (0.31) LMNAHTT
SCHEMBL20076548 0.76 POLB (0.34) MEN1KMT2AALDH1A1RECQLNPC1
SCHEMBL21021245 0.76 MEN1 (0.65) CNR1MEN1KMT2AALDH1A1RECQL
SCHEMBL21021036 0.75 USP28 (0.31) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL21021074 0.74 ABL1 (0.30) MEN1KMT2AALDH1A1RECQL
SCHEMBL21020810 0.74 LMNA (0.36) CNR1MEN1KMT2ANPC1RAB9A
SCHEMBL21021630 0.73 MEN1 (0.37) MEN1KMT2AALDH1A1RECQLMAPT
SCHEMBL20076742 0.73 MEN1 (0.31) MEN1KMT2AALDH1A1RECQLMAPT

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