Trifluoroacetic Acid

SCHEMBL28525655

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

nearest known ligand 0.38

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	RAB9A	P51151	1/20	0.38

▸	ORAI1	Q96D31	2/20	0.37

▸	MAPT	P10636	2/20	0.35

▸	MAPK1	P28482	1/20	0.34

▸	LMNA	P02545	2/20	0.34

▸	ALDH1A1	P00352	1/20	0.34

▸	GPR6	P46095	3/20	0.34

▸	FPR1	P21462	2/20	0.34

▸	FPR2	P25090	2/20	0.34

▸	SLC2A1	P11166	1/20	0.34

▸	RIPK1	Q13546	1/20	0.33

▸	PTGER1	P34995	1/20	0.33

▸	TP53	P04637	1/20	0.33

▸	CCR1	P32246	1/20	0.33

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.

Compound	similarity	top predicted	shared targets
SCHEMBL29355492	0.94	RAB9A (0.42)	RAB9AORAI1MAPTMAPK1LMNA
SCHEMBL21394818	0.94	RAB9A (0.42)	RAB9AORAI1MAPTMAPK1LMNA
SCHEMBL29354631	0.81	RAB9A (0.44)	RAB9AMAPTMAPK1LMNAALDH1A1
SCHEMBL21394773	0.81	RAB9A (0.44)	RAB9AMAPTMAPK1LMNAALDH1A1
SCHEMBL21394447	0.80	RAB9A (0.44)	RAB9AMAPTMAPK1LMNAALDH1A1
SCHEMBL21394570	0.80	RAB9A (0.45)	RAB9AMAPTLMNA
SCHEMBL21394444	0.77	RAB9A (0.46)	RAB9AMAPTMAPK1LMNAALDH1A1
SCHEMBL29356245	0.77	RAB9A (0.46)	RAB9AMAPTMAPK1LMNAALDH1A1
SCHEMBL21394583	0.77	RAB9A (0.45)	RAB9AMAPTLMNA
SCHEMBL21394665	0.77	RAB9A (0.50)	RAB9AMAPTLMNAALDH1A1RIPK1

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-112312913-A	Compounds and uses thereof	优曼尼蒂治疗公司	2021-02-02	—	—	CN	disclosed