SCHEMBL21394880

SCHEMBL21394880

NCc1ccc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)cn1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.53
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41

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
SCHEMBL29357095 1.00 F10 (0.53) F10ALDH1A1MEN1KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL29442844 0.93 F10 (0.47) F10ALDH1A1MEN1KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL28523947 0.93 F10 (0.47) F10ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29356935 0.91 ALDH1A1 (0.48) F10ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21394466 0.91 ALDH1A1 (0.48) F10ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21394891 0.87 ALDH1A1 (0.47) F10ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29356665 0.87 ALDH1A1 (0.47) F10ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21395066 0.84 ALDH1A1 (0.47) F10ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21394651 0.84 ALDH1A1 (0.49) F10ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21394657 0.84 ALDH1A1 (0.49) F10ALDH1A1MEN1KMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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