SCHEMBL11512929

SCHEMBL11512929

Clc1ccc(NCc2cc(Cl)cc(Cl)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
NPC1 O15118 1/20 0.55
RECQL P46063 1/20 0.55
RAB9A P51151 1/20 0.55
CNR2 P34972 1/20 0.51
HDAC1 Q13547 1/20 0.50
FFAR1 O14842 1/20 0.50
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RHOC P08134 1/20 0.45
RHOA P61586 1/20 0.45
CNR1 P21554 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL5324930 0.85 ACLY (0.49) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL11512612 0.84 MEN1 (0.71) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL10945837 0.84 MEN1 (0.71) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL11510712 0.82 HDAC4 (0.54) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL5548020 0.82 CYP1A2 (0.39) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL587762 0.78 HTT (0.64) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL11512006 0.78 MEN1 (0.47) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL11510459 0.78 FFAR1 (0.62) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL11510373 0.78 GAA (0.51) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL3101955 0.77 RAB9A (0.50) MEN1KMT2ACYP1A2CYP2C9CYP2C19

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