SCHEMBL30705702

SCHEMBL30705702

Cc1cc2cc(C[C@H](N)C(N)=O)c(=O)[nH]c2cc1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
KDM4E B2RXH2 13/20 0.43
HSD17B10 Q99714 12/20 0.43
ALDH1A1 P00352 8/20 0.43
CYP1A2 P05177 1/20 0.43
TP53 P04637 2/20 0.43
HPGD P15428 6/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
MAPT P10636 4/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
USP2 O75604 1/20 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
Hydrochloric Acid SCHEMBL30705452 0.88 TSHR (0.36) TSHRKDM4EHSD17B10ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL30705538 0.88 TSHR (0.53) TSHRKDM4EHSD17B10ALDH1A1CYP1A2
SCHEMBL30705603 0.83 TSHR (0.43) TSHRKDM4EHSD17B10ALDH1A1CYP1A2
SCHEMBL30705621 0.81 TSHR (0.43) TSHRKDM4EHSD17B10ALDH1A1CYP1A2
SCHEMBL30705488 0.80 KDM4E (0.57) TSHRKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL30705453 0.80 KDM4E (0.57) TSHRKDM4EHSD17B10ALDH1A1HPGD
Hydrochloric Acid SCHEMBL32662539 0.79 KDM4E (0.55) TSHRKDM4EHSD17B10ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL31475445 0.79 KDM4E (0.56) TSHRKDM4EHSD17B10ALDH1A1HPGD
Hydrochloric Acid SCHEMBL31475464 0.79 DAO (0.50) TSHRKDM4EHSD17B10ALDH1A1TP53
Hydrochloric Acid SCHEMBL30705464 0.79 KDM4E (0.56) TSHRKDM4EHSD17B10ALDH1A1HPGD

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-4539844-A2 COMPOUNDS FOR TREATMENT OF A CORONAVIRUS INFECTION Trawsfynydd Therapeutics, Inc. (US) 2025-04-23 EP disclosed
CN-119604290-A Compounds for the treatment of coronavirus infections 特劳斯芬尼德治疗股份有限公司 2025-03-11 CN disclosed
WO-2023245166-A2 COMPOUNDS FOR TREATMENT OF A CORONAVIRUS INFECTION TRAWSFYNYDD THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed