SCHEMBL31314293

SCHEMBL31314293

CN1c2ccc(Br)cc2Oc2cc(-c3ccc4ccccc4c3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.44
▸ AHR P35869 3/20 0.41
▸ AKT1 P31749 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ ALOX5 P09917 1/20 0.36
▸ LPL P06858 1/20 0.35
▸ LIPG Q9Y5X9 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ HSD17B1 P14061 1/20 0.35

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
SCHEMBL31314477 0.87 AHR (0.44) AHRSMN1; SMN2KDM4EALDH1A1CYP11B1
SCHEMBL31314192 0.81 AHR (0.37) AHRSMN1; SMN2ALDH1A1CYP11B1CYP11B2
SCHEMBL31314363 0.81 AHR (0.54) AHRKDM4EALDH1A1MAPTPGR
SCHEMBL31314172 0.80 GABRP (0.42) AHRSMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL19417312 0.80 AHR (0.55) AHRSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL31443277 0.77 NQO1 (0.37) AHRSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL31314329 0.77 GABRA1 (0.41) AHRSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL16544662 0.76 CYP11B1 (0.41) KDM4EALDH1A1CYP11B1CYP11B2ALOX5
SCHEMBL31314359 0.75 KDM4E (0.40) AHRSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL46737 0.75 AHR (0.52) AHRKDM4EALDH1A1MAPTHTR2B

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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