SCHEMBL11510338

SCHEMBL11510338

Clc1ccc(NCc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
TDP1 Q9NUW8 1/20 0.57
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
CNR1 P21554 1/20 0.51
IDO1 P14902 2/20 0.50
HTT P42858 3/20 0.49
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
MAPK1 P28482 1/20 0.48
STAT3 P40763 1/20 0.48
ALDH1A1 P00352 3/20 0.47
ALOX12 P18054 2/20 0.47
PPARG P37231 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47

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
SCHEMBL31478745 0.89 MAPT (0.60) MAPTTDP1MEN1KMT2AIDO1
SCHEMBL855529 0.86 MAPT (0.50) MAPTTDP1MEN1KMT2ACNR1
SCHEMBL5537374 0.85 MAPT (0.49) MAPTTDP1MEN1KMT2ACNR1
SCHEMBL11512030 0.84 MEN1 (0.53) MAPTTDP1MEN1KMT2ACYP1A2
SCHEMBL11512272 0.83 MAPT (0.56) MAPTTDP1MEN1KMT2AIDO1
SCHEMBL11231501 0.82 CA1 (0.57) MAPTTDP1MEN1KMT2ACNR1
SCHEMBL10677205 0.80 MAPT (0.51) MAPTTDP1KMT2AIDO1HTT
SCHEMBL11511314 0.80 MEN1 (0.68) MAPTMEN1KMT2ACNR1CYP1A2
SCHEMBL6212543 0.80 P2RX1 (0.46) MAPTTDP1MEN1KMT2ACNR1
SCHEMBL11512006 0.79 MEN1 (0.47) MAPTTDP1MEN1KMT2AHTT

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-4152452-A N-BENZYLANILINE AND DERIVATIVES WILLIAM H. RORER, INC. (US) 1979-05-01 US disclosed