SCHEMBL9840099

SCHEMBL9840099

NC(=O)c1ccc(C(F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
MAPT P10636 2/20 0.42
USP2 O75604 1/20 0.42
PARP10 Q53GL7 7/20 0.39
PARP4 Q9UKK3 2/20 0.39
PARP15 Q460N3 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP14 Q460N5 1/20 0.39
PARP16 Q8N5Y8 1/20 0.39
PARP11 Q9NR21 1/20 0.39
PARP1 P09874 2/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL4368257 0.83 TSHR (0.46) TSHRALDH1A1HSD17B10CA2CA1
SCHEMBL10355954 0.81 ALDH1A1 (0.36) TSHRALDH1A1HSD17B10CA2CES2
Hydrochloric Acid SCHEMBL28483240 0.81 TSHR (0.44) TSHRALDH1A1HSD17B10CA2CA1
SCHEMBL9399044 0.81 GABBR2 (0.41) MAPTKMT2APOLBL3MBTL1CA2
SCHEMBL28217781 0.80 PARP1 (0.47) TSHRMAPTPARP10PARP15KMT2A
SCHEMBL22159396 0.79 ESR1 (0.38)
SCHEMBL11696171 0.76 PARP10 (0.48) TSHRMAPTPARP10PARP4PARP15
SCHEMBL29161601 0.75 ADRB2 (0.42) TSHRMAPTALDH1A1KMT2ACYP2C19
SCHEMBL320072 0.74 ESR1 (0.54) TSHRMAPTALDH1A1KMT2ACYP3A4
SCHEMBL8462292 0.74 ESR1 (0.54) TSHRMAPTALDH1A1KMT2ACYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108117645-A The poly- fragrant acid imide manufacturing method of one kind and its process units 梅雪 2018-06-05 CN claimed
CN-108117645-A The poly- fragrant acid imide manufacturing method of one kind and its process units 梅雪 2018-06-05 CN disclosed
CN-107987848-A Liquid crystal alignment agent and manufacturing method thereof, liquid crystal alignment film and manufacturing method thereof, and liquid crystal display assembly and manufacturing method thereof 奇美实业股份有限公司 2018-05-04 CN disclosed
US-5011997-A Process for bis(4-aminophenyl)hexafluoropropane HOECHST CELANESE CORP. (US) 1991-04-30 US disclosed