SCHEMBL21394479

SCHEMBL21394479

CN(c1ccc(NC(=O)c2ccc(=O)n(C)c2)nc1)c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.46
NPC1 O15118 6/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
CREBBP Q92793 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
KDM4E B2RXH2 2/20 0.41
GRM5 P41594 2/20 0.41
F10 P00742 2/20 0.40
TP53 P04637 1/20 0.40
NTRK1 P04629 1/20 0.40
HCAR3 P49019 1/20 0.39

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
SCHEMBL21394478 0.82 TSHR (0.47) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL22479552 0.81 MEN1 (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL21394862 0.80 GCK (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL29356936 0.80 NPC1 (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL29357283 0.80 GCK (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL21394601 0.80 NPC1 (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL21394784 0.74 GCK (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL29356925 0.74 GCK (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL21395077 0.74 GCK (0.51) MEN1KMT2APOLBKDM4EGRM5
SCHEMBL21394550 0.74 KDM4E (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2CREBBP

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