SCHEMBL21394955

SCHEMBL21394955

COc1cc(Cc2ccc(NC(=O)c3cnc(Cl)cn3)nc2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GRM4 Q14833 2/20 0.43
HTT P42858 1/20 0.42
KDM4E B2RXH2 2/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
GRM5 P41594 1/20 0.41
BACE1 P56817 2/20 0.40
MAPT P10636 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
SCHEMBL21394950 0.88 CHEK1 (0.49)
SCHEMBL21394713 0.87 NPC1 (0.44) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL21394947 0.82 JUN (0.43) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL21395192 0.81 L3MBTL1 (0.43) RAB9ANPC1TP53CYP1A2CYP3A4
SCHEMBL21395032 0.81 SMN1; SMN2 (0.42) RAB9ANPC1CYP3A4SMN1; SMN2MEN1
SCHEMBL29357852 0.78 NPC1 (0.53) RAB9ANPC1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL21394758 0.78 NPC1 (0.53) RAB9ANPC1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL21394842 0.77 SMN1; SMN2 (0.44) RAB9ANPC1TP53CYP1A2CYP3A4
SCHEMBL29356712 0.77 SMN1; SMN2 (0.44) RAB9ANPC1TP53CYP1A2CYP3A4
SCHEMBL21395025 0.77 NPC1 (0.45) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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