SCHEMBL21395088

SCHEMBL21395088

Cn1cc(C(=O)Nc2ccc(Oc3ccc(F)c(F)c3)cn2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.44
CASP3 P42574 2/20 0.44
RAB9A P51151 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
MAOB P27338 1/20 0.42
CREBBP Q92793 1/20 0.42
DEGS1 O15121 1/20 0.41
CYP3A4 P08684 3/20 0.41
POLB P06746 1/20 0.41
GRM5 P41594 1/20 0.41
NTRK1 P04629 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GCK P35557 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
NFKB1 P19838 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
SCHEMBL21394840 0.91 RAB9A (0.47) MEN1KMT2ANPC1CASP3RAB9A
SCHEMBL29355464 0.91 RAB9A (0.47) MEN1KMT2ANPC1CASP3RAB9A
SCHEMBL21395077 0.88 GCK (0.51) MEN1KMT2ACYP3A4POLBGRM5
SCHEMBL21394862 0.88 GCK (0.52) MEN1KMT2ANPC1CASP3RAB9A
SCHEMBL29357283 0.88 GCK (0.52) MEN1KMT2ANPC1CASP3RAB9A
SCHEMBL21395074 0.86 CYP3A4 (0.53) MEN1KMT2ANPC1CASP3RAB9A
SCHEMBL21394759 0.86 MEN1 (0.53) MEN1KMT2ANPC1CASP3RAB9A
SCHEMBL29354520 0.86 MEN1 (0.53) MEN1KMT2ANPC1CASP3RAB9A
SCHEMBL21394480 0.81 MAPT (0.44) RAB9AMAOBCREBBPDEGS1NTRK1
SCHEMBL29357606 0.81 MAPT (0.44) RAB9AMAOBCREBBPDEGS1NTRK1

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