SCHEMBL11442010

SCHEMBL11442010

CC1(C(=O)Nc2ccc(Nc3ccc(Br)c(Cl)c3)c(Cl)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.48
MEN1 O00255 7/20 0.48
LMNA P02545 4/20 0.48
HPGD P15428 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 2/20 0.48
ALOX15 P16050 2/20 0.48
ALOX12 P18054 2/20 0.48
MAPT P10636 6/20 0.48
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 2/20 0.46
PKM P14618 1/20 0.44
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL11435881 0.88 EPHX1 (0.47) KMT2AMEN1LMNASMN1; SMN2HTT
SCHEMBL11442298 0.86 NPY2R (0.43) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL10521499 0.78 EPHX1 (0.58) KMT2AMEN1LMNAHTTMAPT
SCHEMBL11434270 0.75 KDR (0.54) KMT2AMEN1LMNASMN1; SMN2HTT
SCHEMBL11558200 0.73 CETP (0.41) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL11427426 0.73 CNR1 (0.45) LMNASMN1; SMN2MAPTNPC1RAB9A
SCHEMBL11565135 0.73 CETP (0.38) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL11566094 0.72 SMN1; SMN2 (0.57) KMT2AMEN1LMNAHPGDSMN1; SMN2
SCHEMBL10521341 0.72 NPY2R (0.45) KMT2AMEN1SMN1; SMN2MAPTCYP3A4
SCHEMBL18677445 0.71 IDO1 (0.51) LMNAALDH1A1GAANPY2R

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-4181519-A Diphenylamine derivative herbicides SHELL OIL COMPANY (US) 1980-01-01 US disclosed