SCHEMBL21394447

SCHEMBL21394447

CN1N=C(C(=O)Nc2cnc(Cc3cccc(Cl)c3)cn2)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 2/20 0.36
FSCN1 Q16658 1/20 0.36
CYP1A2 P05177 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 2/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ABL1 P00519 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
GRM5 P41594 1/20 0.36

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
SCHEMBL21394773 0.88 RAB9A (0.44) RAB9AMAPTLMNAALDH1A1MAPK1
SCHEMBL29354631 0.88 RAB9A (0.44) RAB9AMAPTLMNAALDH1A1MAPK1
SCHEMBL21394583 0.87 RAB9A (0.45) RAB9AMAPTLMNAFSCN1CYP2C19
SCHEMBL29353835 0.87 RAB9A (0.45) RAB9AMAPTLMNAFSCN1CYP2C19
SCHEMBL21394818 0.85 RAB9A (0.42) RAB9AMAPTLMNAALDH1A1MAPK1
SCHEMBL29355492 0.85 RAB9A (0.42) RAB9AMAPTLMNAALDH1A1MAPK1
SCHEMBL21394570 0.85 RAB9A (0.45) RAB9AMAPTLMNANPC1CYP1A2
SCHEMBL29356245 0.83 RAB9A (0.46) RAB9AMAPTLMNAALDH1A1MAPK1
SCHEMBL21394444 0.83 RAB9A (0.46) RAB9AMAPTLMNAALDH1A1MAPK1
SCHEMBL22479453 0.83 RAB9A (0.51) RAB9AMAPTLMNAALDH1A1FSCN1

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