SCHEMBL21394518

SCHEMBL21394518

O=C(Nc1ccc(Cc2cccc(Cl)c2)cn1)c1ccc2nccn2c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.52
MAOB P27338 1/20 0.51
RET P07949 1/20 0.49
HDAC1 Q13547 1/20 0.47
S1PR3 Q99500 1/20 0.46
ALDH1A1 P00352 1/20 0.44
MLLT1 Q03111 1/20 0.43
F10 P00742 2/20 0.43
CYP2C9 P11712 1/20 0.42

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
SCHEMBL29358541 1.00 NAMPT (0.52) NAMPTMAOBRETHDAC1S1PR3
SCHEMBL21394498 0.89 NAMPT (0.48) NAMPTMAOBHDAC1ALDH1A1CYP2C9
SCHEMBL29356780 0.89 NAMPT (0.48) NAMPTMAOBHDAC1ALDH1A1CYP2C9
SCHEMBL21394869 0.86 MLLT1 (0.62) NAMPTMAOBALDH1A1MLLT1F10
SCHEMBL29357058 0.86 MLLT1 (0.62) NAMPTMAOBALDH1A1MLLT1F10
SCHEMBL21394429 0.83 RET (0.46) NAMPTRETALDH1A1F10
SCHEMBL29356860 0.80 ALDH1A1 (0.48) ALDH1A1F10
SCHEMBL21394825 0.80 ALDH1A1 (0.48) ALDH1A1F10
SCHEMBL21394682 0.79 ALDH1A1 (0.47) ALDH1A1F10
SCHEMBL21394683 0.79 ALDH1A1 (0.53) ALDH1A1F10

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