SCHEMBL21394664

SCHEMBL21394664

CN1N=C(C(=O)Nc2ccc(Cc3cncc(F)c3)cn2)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
PARP1 P09874 3/20 0.36
CYP3A4 P08684 5/20 0.36
PORCN Q9H237 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
SLC6A3 Q01959 1/20 0.36
AHR P35869 1/20 0.35
WNT1 P04628 1/20 0.34
DYRK1A Q13627 1/20 0.34
GRM5 P41594 1/20 0.34
CSF1R P07333 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL21395043 0.91 RAB9A (0.47) RAB9APARP1AHRGRM5CSF1R
SCHEMBL29355445 0.91 RAB9A (0.47) RAB9APARP1AHRGRM5CSF1R
SCHEMBL21394661 0.89 CYP11B1 (0.52) RAB9ACYP11B1CYP11B2PARP1CYP3A4
SCHEMBL21394770 0.89 RAB9A (0.46) RAB9APARP1AHRGRM5ALDH1A1
SCHEMBL29353935 0.89 RAB9A (0.46) RAB9APARP1AHRGRM5ALDH1A1
SCHEMBL29358581 0.89 RAB9A (0.44) RAB9APARP1AHRALDH1A1MAPT
SCHEMBL21394597 0.89 RAB9A (0.44) RAB9ACYP11B1CYP11B2PARP1CYP3A4
SCHEMBL21394559 0.89 RAB9A (0.44) RAB9APARP1AHRALDH1A1MAPT
SCHEMBL21394638 0.88 RAB9A (0.42) RAB9ACYP11B1CYP11B2PARP1DYRK1A
SCHEMBL21394829 0.87 RAB9A (0.43) RAB9AGRM5ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed