SCHEMBL29028340

SCHEMBL29028340

COCCN(C(=O)c1ccc(F)cc1)c1cccc(C(=O)O)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MLYCD O95822 1/20 0.38
S1PR1 P21453 1/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NAMPT P43490 2/20 0.36

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
SCHEMBL29028410 0.93 KMT2A (0.43) KDM4EKMT2AMEN1TP53ALDH1A1
SCHEMBL29028657 0.89 CYP2C19 (0.46) KDM4EADORA2AADORA2BADORA1KMT2A
SCHEMBL29028360 0.88 KDM4E (0.37) KDM4EKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL29028365 0.88 KMT2A (0.42) KDM4EKMT2AMEN1TP53RAB9A
SCHEMBL29028446 0.87 NR1I2 (0.40) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL29114035 0.86 MEN1 (0.44) KMT2AMEN1TP53RAB9AALDH1A1
SCHEMBL29028585 0.81 TSHR (0.39) KDM4EKMT2AMEN1ALDH1A1TSHR
SCHEMBL29028498 0.80 CYP1A2 (0.41) KDM4EKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL1807673 0.79 TSHR (0.43) TP53ALDH1A1S1PR1TSHRMAPT
SCHEMBL31679335 0.79 KDM4E (0.39) KDM4EKMT2ARAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4610251-A1 HEPTAFLUOROISOPROPYL-CONTAINING BISAMIDE COMPOUND AND INTERMEDIATE COMPOUND THEREOF, AND PREPARATION METHODS THEREFOR AND USE THEREOF Zhejiang Udragon Pesticides And Chemicals Co., Ltd. (CN) 2025-09-03 EP disclosed
CN-115974717-B Bisamide compound containing sevoflurane isopropyl and intermediate compound thereof, preparation method and application thereof 浙江宇龙药业有限公司 2025-03-14 CN disclosed
CN-115974717-A Heptafluoroisopropyl-containing bisamide compound and intermediate compound thereof, and preparation method and application thereof 浙江宇龙药业有限公司 2023-04-18 CN disclosed