SCHEMBL21394726

SCHEMBL21394726

N#Cc1ncc(C(=O)Nc2ccc(Cc3cc(F)cc(F)c3)cn2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
CXCR2 P25025 1/20 0.41
CYP3A4 P08684 4/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
GCK P35557 2/20 0.41
F10 P00742 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAPT P10636 1/20 0.39
GRM5 P41594 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL21394698 0.89 GCK (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1PKM
SCHEMBL21394694 0.88 GCK (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1PKM
SCHEMBL21394727 0.86 KMT2A (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1PKM
SCHEMBL21395029 0.82 GCK (0.40) CYP3A4SIRT2GCK
SCHEMBL21394396 0.82 KCNQ3 (0.47) ALDH1A1CXCR2GCKRARG
SCHEMBL21395037 0.80 GCK (0.39) RAB9ANPC1SMN1; SMN2ALDH1A1PKM
SCHEMBL21394643 0.80 KDM4E (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1PKM
SCHEMBL21395185 0.79 TMPRSS4 (0.49) SIRT2MEN1KMT2A
SCHEMBL21395030 0.79 NPC1 (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1PKM
SCHEMBL21394395 0.78 KDM4E (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1PKM

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