SCHEMBL11624239

SCHEMBL11624239

Clc1ccc(Cl)c(-c2cc[nH]n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.56
ALDH1A1 P00352 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HTR2B P41595 1/20 0.42
PDE4D Q08499 1/20 0.42
AGPAT2 O15120 1/20 0.40
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
DYRK1A Q13627 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTPN1 P18031 1/20 0.38
PKM P14618 1/20 0.38
TP53 P04637 1/20 0.38
CNR2 P34972 1/20 0.38
PTPN11 Q06124 1/20 0.36
ALPL P05186 2/20 0.35

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
SCHEMBL3846339 0.85 ALPL (0.49) IDO1F7F3DYRK1AMAPT
SCHEMBL14400038 0.81 IDO1 (0.58) IDO1ALDH1A1HTR2BPDE4DF7
SCHEMBL31039366 0.81 IDO1 (0.38) IDO1ALDH1A1RXFP1F7F3
SCHEMBL6031031 0.81 IDO1 (0.58) IDO1ALDH1A1AGPAT2MAPTMEN1
SCHEMBL27660921 0.81 IDO1 (0.38) IDO1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL15079440 0.81 IDO1 (0.58) IDO1AGPAT2F7F3DYRK1A
SCHEMBL12096419 0.79 HSP90AA1 (0.54) IDO1ALDH1A1MAPTMEN1HPGD
SCHEMBL25299734 0.78 F7 (0.37) IDO1F7F3DYRK1AMAPT
SCHEMBL3846744 0.78 KMO (0.44) IDO1F7F3DYRK1AALPL
SCHEMBL26915263 0.78 KDM1A (0.45) IDO1AGPAT2

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-4072498-A HERBICIDES THE UPJOHN COMPANY (US) 1978-02-07 US disclosed