SCHEMBL29601245

SCHEMBL29601245

Clc1nc(Cl)c2c(ncn2Cc2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 1/20 0.45
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
TNF P01375 1/20 0.45
HPGD P15428 1/20 0.44
GAA P10253 2/20 0.43
ADORA2B P29275 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
DPP4 P27487 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
PARN O95453 1/20 0.41
CNOT7 Q9UIV1 1/20 0.41
CNR2 P34972 1/20 0.39
ADORA2A P29274 1/20 0.39
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39

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
SCHEMBL183167 1.00 YTHDC1 (0.47) YTHDC1SMN1; SMN2ALDH1A1KMT2ACYP11B1
SCHEMBL30496448 0.91 CYP11B1 (0.50) YTHDC1SMN1; SMN2ALDH1A1KMT2ACYP11B1
SCHEMBL21883488 0.91 CYP11B1 (0.50) YTHDC1SMN1; SMN2ALDH1A1KMT2ACYP11B1
SCHEMBL3425599 0.83 ADORA2A (0.39) YTHDC1SMN1; SMN2ALDH1A1KMT2ACYP11B1
SCHEMBL30496453 0.83 ADORA2A (0.39) YTHDC1SMN1; SMN2ALDH1A1KMT2ACYP11B1
SCHEMBL6900306 0.81 MET (0.47) YTHDC1SMN1; SMN2ALDH1A1KMT2ACYP11B1
SCHEMBL30020920 0.81 MET (0.47) YTHDC1SMN1; SMN2ALDH1A1KMT2ACYP11B1
SCHEMBL15921469 0.81 P2RX7 (0.40) ALDH1A1ADORA2A
SCHEMBL5467085 0.81 PDE4A (0.53) YTHDC1SMN1; SMN2ALDH1A1KMT2ACYP11B1
SCHEMBL17144368 0.80 KMT2A (0.47) SMN1; SMN2ALDH1A1KMT2AGAATSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3997089-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF University Of Virginia Patent Foundation (US) 2022-05-18 EP claimed
EP-3997089-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF University Of Virginia Patent Foundation (US) 2022-05-18 EP disclosed