SCHEMBL31314477

SCHEMBL31314477

CN1c2ccc(Br)cc2Oc2cc(-c3ccccc3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ GABRA1 P14867 3/20 0.40
▸ GABRA5 P31644 3/20 0.40
▸ GABRA2 P47869 3/20 0.40
▸ GABRB2 P47870 3/20 0.40
▸ GABRG2 P18507 2/20 0.40
▸ GABRB3 P28472 2/20 0.40
▸ GABRA3 P34903 2/20 0.40
▸ PGR P06401 1/20 0.40
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRB1 P18505 1/20 0.34

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
SCHEMBL16544662 0.90 CYP11B1 (0.41) ALDH1A1PGRCYP11B1CYP11B2GAA
SCHEMBL31314293 0.87 CYP2A6 (0.44) AHRALDH1A1PGRCYP11B1CYP11B2
SCHEMBL16810784 0.85 KDM4E (0.45) ALDH1A1CYP11B1CYP11B2GAAL3MBTL1
SCHEMBL31314363 0.85 AHR (0.54) AHRALDH1A1GABRA1GABRA5GABRA2
SCHEMBL31314172 0.84 GABRP (0.42) AHRALDH1A1MAPK1GABRA1GABRA5
SCHEMBL19417312 0.83 AHR (0.55) AHRALDH1A1GABRA1GABRA5GABRA2
SCHEMBL31314256 0.82 MEN1 (0.45) AHRALDH1A1MAPK1HTR2AHTR2C
SCHEMBL19649399 0.81 NPC1 (0.41) ALDH1A1CYP11B1CYP11B2GAAL3MBTL1
SCHEMBL31443277 0.80 NQO1 (0.37) AHRALDH1A1GAANPC1RAB9A
SCHEMBL31314329 0.80 GABRA1 (0.41) AHRALDH1A1GABRA1GABRA5GABRA2

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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