SCHEMBL21394888

SCHEMBL21394888

Clc1cccc(NCc2ccc(Cl)nc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.59
KDM4E B2RXH2 3/20 0.59
MAPT P10636 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
EGFR P00533 4/20 0.49
OXTR P30559 1/20 0.48
AVPR1A P37288 1/20 0.48
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.45
ROCK2 O75116 1/20 0.44
GRK2 P25098 1/20 0.44
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
SCD O00767 1/20 0.43
DHFR P00374 1/20 0.43

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
SCHEMBL29442882 1.00 GAA (0.59) GAAKDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL28707397 0.85 MAPT (0.56) GAAKDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL13090580 0.83 KDM4E (0.72) GAAKDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL30862011 0.83 KDM4E (0.72) GAAKDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL28701830 0.80 MAPT (0.58) GAAKDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL632349 0.80 EGFR (0.59) GAAKDM4EMAPTALDH1A1EGFR
SCHEMBL28892293 0.79 OXTR (0.59) GAAKDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL26485835 0.79 LMNA (0.67) MAPTALDH1A1EGFRCYP3A4CYP2C19
SCHEMBL2908532 0.78 LTA4H (0.66) GAAKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL632217 0.78 CHRM2 (0.55) GAAKDM4EMAPTALDH1A1SMN1; SMN2

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
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed