SCHEMBL31314359

SCHEMBL31314359

CN1c2ccc(Br)cc2Oc2cc(-c3cccs3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ PGR P06401 1/20 0.38
▸ PRKDC P78527 2/20 0.36
▸ AHR P35869 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
SCHEMBL31314363 0.79 AHR (0.54) KDM4EALDH1A1MAPTPGRAHR
SCHEMBL31314477 0.79 AHR (0.44) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL31314293 0.75 CYP2A6 (0.44) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL19417312 0.75 AHR (0.55) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL46737 0.73 AHR (0.52) KDM4EALDH1A1MAPTTSHRTDP1
SCHEMBL31314172 0.72 GABRP (0.42) ALDH1A1NPC1MAPTCASP3RAB9A
SCHEMBL25028171 0.72 KCNH2 (0.46) MAPTTDP1KCNH2SRD5A1HDAC1
SCHEMBL31314329 0.72 GABRA1 (0.41) KDM4EALDH1A1NPC1MAPTTSHR
SCHEMBL19417350 0.71 AHR (0.55) KDM4EALDH1A1MAPTAHRMEN1
SCHEMBL31314192 0.71 AHR (0.37) ALDH1A1HPGDSMN1; SMN2PGRAHR

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-119462552-A Anode electrochromic material and preparation method and application thereof 宁波华瓴光学技术有限公司 2025-02-18 — — CN disclosed
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