SCHEMBL30675618

SCHEMBL30675618

O=C(CCl)Nc1ccc(F)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
ALDH1A1 P00352 5/20 0.50
HTT P42858 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MITF O75030 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
XBP1 P17861 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NOD2 Q9HC29 1/20 0.50
PRMT1 Q99873 1/20 0.49
LMNA P02545 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CASP3 P42574 1/20 0.47
GSTO1 P78417 2/20 0.46
ENPP1 P22413 1/20 0.46
FABP4 P15090 1/20 0.46
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL20679612 1.00 TSHR (0.51) TSHRALDH1A1HTTSMN1; SMN2MITF
SCHEMBL29678256 0.86 TSHR (0.59) TSHRALDH1A1HTTSMN1; SMN2MITF
SCHEMBL242212 0.86 TSHR (0.59) TSHRALDH1A1HTTSMN1; SMN2MITF
SCHEMBL14706934 0.84 ERCC1 (0.58) ALDH1A1HTTSMN1; SMN2MITFNPC1
SCHEMBL4002460 0.83 TSHR (0.73) TSHRALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL21663705 0.83 TSHR (0.47) TSHRALDH1A1SMN1; SMN2RAB9AKDM4E
SCHEMBL31023418 0.83 TSHR (0.73) TSHRALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL29103846 0.81 GSTO1 (0.54) TSHRALDH1A1HTTSMN1; SMN2MITF
SCHEMBL4010685 0.81 POLB (0.54) TSHRALDH1A1HTTSMN1; SMN2MITF
SCHEMBL30149351 0.81 GSTO1 (0.54) TSHRALDH1A1HTTSMN1; SMN2MITF

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111615388-B Immunotherapeutic agent for cancer 斯汀格瑞治疗股份有限公司 2023-11-14 CN disclosed