SCHEMBL21395073

SCHEMBL21395073

O=C(Nc1ccc(Cc2cccc(Cl)c2)cn1)c1cncc(CO)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
F10 P00742 6/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 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
SCHEMBL21395068 0.87 NPC1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL21394767 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AF10
SCHEMBL29358525 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AF10
SCHEMBL21394718 0.85 NPC1 (0.42) ALDH1A1SMN1; SMN2F10NPC1RAB9A
SCHEMBL21395193 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AF10
SCHEMBL29356935 0.83 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AF10
SCHEMBL21394466 0.83 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AF10
SCHEMBL21394393 0.81 NPC1 (0.43) ALDH1A1SMN1; SMN2NPC1RAB9APKM
SCHEMBL21395015 0.79 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AF10
SCHEMBL21394749 0.79 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AF10

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