SCHEMBL21394722

SCHEMBL21394722

O=C(Nc1ccc(Cc2cccc(Cl)c2)cn1)c1ccc([C@@H](O)CO)nc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
PYGL P06737 3/20 0.43
F10 P00742 6/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
GCK P35557 1/20 0.40
P4HTM Q9NXG6 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL21394657 0.92 ALDH1A1 (0.49) ALDH1A1F10MEN1KMT2ASMN1; SMN2
SCHEMBL21394651 0.92 ALDH1A1 (0.49) ALDH1A1F10MEN1KMT2ASMN1; SMN2
SCHEMBL21395066 0.88 ALDH1A1 (0.47) ALDH1A1F10MEN1KMT2ASMN1; SMN2
SCHEMBL29356935 0.84 ALDH1A1 (0.48) ALDH1A1F10MEN1KMT2ASMN1; SMN2
SCHEMBL21394466 0.84 ALDH1A1 (0.48) ALDH1A1F10MEN1KMT2ASMN1; SMN2
SCHEMBL29357095 0.83 F10 (0.53) ALDH1A1F10MEN1KMT2ASMN1; SMN2
SCHEMBL21394880 0.83 F10 (0.53) ALDH1A1F10MEN1KMT2ASMN1; SMN2
SCHEMBL21395090 0.82 ALDH1A1 (0.51) ALDH1A1F10MEN1KMT2ASMN1; SMN2
SCHEMBL21395193 0.81 ALDH1A1 (0.50) ALDH1A1F10MEN1KMT2ASMN1; SMN2
SCHEMBL22479547 0.81 ALDH1A1 (0.50) ALDH1A1F10MEN1KMT2ASMN1; 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