SCHEMBL31314192

SCHEMBL31314192

CN1c2ccc(Br)cc2Oc2cc(-c3cccc4ccccc34)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.37
▸ MCL1 Q07820 1/20 0.36
▸ ACMSD Q8TDX5 1/20 0.36
▸ ENPP3 O14638 1/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CA12 O43570 2/20 0.33

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
SCHEMBL31314293 0.81 CYP2A6 (0.44) AHRCYP11B1CYP11B2ALDH1A1CYP1A2
SCHEMBL31314477 0.79 AHR (0.44) AHRCYP11B1CYP11B2ALDH1A1CYP2C9
SCHEMBL31314363 0.77 AHR (0.54) AHRNR1H2NR1H3ALDH1A1GABRA1
SCHEMBL31443274 0.77 PTPRC (0.45) AHRENPP3ENPP1ALDH1A1HPGD
SCHEMBL19417312 0.76 AHR (0.55) AHRNR1H2NR1H3ALDH1A1HPGD
SCHEMBL16502134 0.74 ALDH1A1 (0.40) MCL1ACMSDENPP3ENPP1ALDH1A1
SCHEMBL18790545 0.74 AHR (0.44) AHRALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL31314329 0.73 GABRA1 (0.41) AHRALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL22958708 0.73 MCL1 (0.40) MCL1ACMSDENPP3ENPP1HDAC8
SCHEMBL2163517 0.73 CYP2A6 (0.55) MCL1ACMSDENPP3ENPP1HDAC8

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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