SCHEMBL11834832

SCHEMBL11834832

CCCCNC(=O)Nc1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.56
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
GAA P10253 2/20 0.53
PKM P14618 1/20 0.53
TBXA2R P21731 11/20 0.53
THRA P10827 1/20 0.51
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
MAPK1 P28482 1/20 0.47
EPHX2 P34913 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
XBP1 P17861 1/20 0.45
CCR6 P51684 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL11836660 0.94 KMT2A (0.55) RAB9AMEN1KMT2AGAAPKM
SCHEMBL11832770 0.89 KMT2A (0.57) RAB9AMEN1KMT2AGAAPKM
SCHEMBL11832585 0.88 MEN1 (0.68) RAB9AMEN1KMT2AGAAPKM
SCHEMBL11832824 0.84 KMT2A (0.61) RAB9AMEN1KMT2AGAAPKM
SCHEMBL11824796 0.82 KMT2A (0.54) RAB9AMEN1KMT2AGAAPKM
SCHEMBL11839070 0.81 KMT2A (0.57) RAB9AMEN1KMT2AGAAPKM
SCHEMBL11827890 0.75 KMT2A (0.58) RAB9AMEN1KMT2AGAAPKM
SCHEMBL11831710 0.75 KMT2A (0.50) RAB9AMEN1KMT2AGAAPKM
SCHEMBL11827269 0.74 MEN1 (0.63) RAB9AMEN1KMT2AGAAPKM
SCHEMBL11829587 0.74 KMT2A (0.68) RAB9AMEN1KMT2AGAATBXA2R

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-3933814-A ANTIPROTOZOA, ANTICOCCIDIOSIS BAYER AKTIENGESELLSCHAFT (DT) 1976-01-20 US disclosed