SCHEMBL31265486

SCHEMBL31265486

Oc1ncccc1C(c1cccs1)c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.50
MAPT P10636 6/20 0.42
L3MBTL1 Q9Y468 6/20 0.42
NPSR1 Q6W5P4 5/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.42
HTT P42858 2/20 0.42
PKM P14618 1/20 0.42
ATM Q13315 1/20 0.42
TSHR P16473 1/20 0.41
HSD17B10 Q99714 3/20 0.41
ICMT O60725 1/20 0.39
MDM2 Q00987 1/20 0.39
ALOX12 P18054 10/20 0.38
KDM4E B2RXH2 7/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
HSP90AA1 P07900 4/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 3/20 0.37

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
SCHEMBL8198783 0.70 TOP2A (0.54) AHRMAPTL3MBTL1NPSR1ALDH1A1
SCHEMBL5214224 0.70 TSHR (0.50) AHRMAPTL3MBTL1NPSR1ALDH1A1
SCHEMBL1305502 0.70 CES2 (0.45) AHRMAPTL3MBTL1NPSR1ALDH1A1
SCHEMBL31265456 0.69 ALDH1A1 (0.47) AHRALDH1A1TSHRKDM4EMEN1
SCHEMBL14803938 0.69 ALDH1A1 (0.35) MAPTL3MBTL1ALDH1A1HPGDHTT
SCHEMBL6375190 0.68 TSHR (0.48) AHRMAPTL3MBTL1NPSR1ALDH1A1
SCHEMBL30832479 0.67 L3MBTL1 (0.34) MAPTL3MBTL1ALDH1A1HTTTSHR
SCHEMBL807446 0.67 GABRA1 (0.54) HPGDTSHRLMNA
SCHEMBL29186875 0.67 L3MBTL1 (0.34) MAPTL3MBTL1ALDH1A1HTTTSHR
SCHEMBL16598025 0.67 ALOX5 (0.47) MAPTL3MBTL1NPSR1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118812424-A Triarylmethane derivative and preparation method and application thereof 重庆文理学院 2024-10-22 CN claimed
CN-118812424-A Triarylmethane derivative and preparation method and application thereof 重庆文理学院 2024-10-22 CN disclosed