SCHEMBL21394748

SCHEMBL21394748

CN1N=C(C(=O)Nc2ncc(Cc3cccc(Cl)c3)cc2F)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
LMNA P02545 1/20 0.38
MAPT P10636 2/20 0.36
NPC1 O15118 2/20 0.35
FSCN1 Q16658 1/20 0.35
CYP1A2 P05177 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ABL1 P00519 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
GPR52 Q9Y2T5 2/20 0.35
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 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
SCHEMBL29356684 1.00 RAB9A (0.42) RAB9ALMNAMAPTNPC1FSCN1
SCHEMBL22479454 0.88 RAB9A (0.41) RAB9ALMNAMAPTHPGDGPR52
SCHEMBL21394444 0.86 RAB9A (0.46) RAB9ALMNAMAPTNPC1FSCN1
SCHEMBL29356245 0.86 RAB9A (0.46) RAB9ALMNAMAPTNPC1FSCN1
SCHEMBL21394773 0.84 RAB9A (0.44) RAB9ALMNAMAPTNPC1KMT2A
SCHEMBL29354631 0.84 RAB9A (0.44) RAB9ALMNAMAPTNPC1KMT2A
SCHEMBL21394792 0.84 RAB9A (0.42) RAB9ALMNAMAPTNPC1FSCN1
SCHEMBL29356951 0.82 RAB9A (0.55) RAB9AMAPTFSCN1KMT2AKDM4E
SCHEMBL21394401 0.82 RAB9A (0.55) RAB9AMAPTFSCN1KMT2AKDM4E
SCHEMBL21394665 0.81 RAB9A (0.50) RAB9ALMNAMAPTNPC1FSCN1

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