SCHEMBL21394818

SCHEMBL21394818

Cc1cc(NC(=O)C2=NN(C)C(=O)CC2)ncc1Cc1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 2/20 0.38
FPR1 P21462 2/20 0.37
FPR2 P25090 2/20 0.37
RXFP1 Q9HBX9 2/20 0.36
ORAI1 Q96D31 1/20 0.35
NPC1 O15118 2/20 0.35
CYP2C19 P33261 1/20 0.35
FSCN1 Q16658 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 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
SCHEMBL29355492 1.00 RAB9A (0.42) RAB9AMAPTALDH1A1LMNAMAPK1
Trifluoroacetic Acid SCHEMBL28525655 0.94 RAB9A (0.38) RAB9AMAPTALDH1A1LMNAMAPK1
SCHEMBL29354631 0.86 RAB9A (0.44) RAB9AMAPTALDH1A1LMNAMAPK1
SCHEMBL21394773 0.86 RAB9A (0.44) RAB9AMAPTALDH1A1LMNAMAPK1
SCHEMBL21394447 0.85 RAB9A (0.44) RAB9AMAPTALDH1A1LMNAMAPK1
SCHEMBL21394570 0.85 RAB9A (0.45) RAB9AMAPTLMNARXFP1NPC1
SCHEMBL21394444 0.82 RAB9A (0.46) RAB9AMAPTALDH1A1LMNAMAPK1
SCHEMBL29356245 0.82 RAB9A (0.46) RAB9AMAPTALDH1A1LMNAMAPK1
SCHEMBL21394665 0.81 RAB9A (0.50) RAB9AMAPTALDH1A1LMNANPC1
SCHEMBL21394583 0.81 RAB9A (0.45) RAB9AMAPTLMNARXFP1CYP2C19

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