SCHEMBL21394792

SCHEMBL21394792

CN1N=C(C(=O)Nc2cc(Cc3cccc(Cl)c3)cnc2N)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
MAPT P10636 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
MERTK Q12866 2/20 0.37
AXL P30530 1/20 0.37
PRKCI P41743 1/20 0.37
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NPC1 O15118 2/20 0.35
POLB P06746 1/20 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

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
SCHEMBL29356245 0.86 RAB9A (0.46) RAB9AMAPTSMN1; SMN2LMNAHDAC3
SCHEMBL21394444 0.86 RAB9A (0.46) RAB9AMAPTSMN1; SMN2LMNAHDAC3
SCHEMBL21394773 0.84 RAB9A (0.44) RAB9AMAPTSMN1; SMN2LMNANPC1
SCHEMBL29354631 0.84 RAB9A (0.44) RAB9AMAPTSMN1; SMN2LMNANPC1
SCHEMBL21394748 0.84 RAB9A (0.42) RAB9AMAPTLMNANPC1FSCN1
SCHEMBL29356684 0.84 RAB9A (0.42) RAB9AMAPTLMNANPC1FSCN1
SCHEMBL22479454 0.82 RAB9A (0.41) RAB9AMAPTSMN1; SMN2LMNAPOLB
SCHEMBL29356951 0.82 RAB9A (0.55) RAB9AMAPTFSCN1KMT2AKDM4E
SCHEMBL21394401 0.82 RAB9A (0.55) RAB9AMAPTFSCN1KMT2AKDM4E
SCHEMBL21394665 0.81 RAB9A (0.50) RAB9AMAPTLMNANPC1FSCN1

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