SCHEMBL31314329

SCHEMBL31314329

CN1c2ccc(Br)cc2Oc2cc(-c3ccccn3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ GRM5 P41594 1/20 0.39
▸ AHR P35869 2/20 0.38
▸ BACE1 P56817 2/20 0.38
▸ CTSD P07339 1/20 0.38
▸ TP53 P04637 3/20 0.36
▸ PKM P14618 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ DCTPP1 Q9H773 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
SCHEMBL19417421 0.83 KDM4E (0.41) GRM5BACE1CTSDTP53PKM
SCHEMBL13308155 0.82 GRM5 (0.39) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL31314477 0.80 AHR (0.44) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL31314363 0.78 AHR (0.54) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL31314293 0.77 CYP2A6 (0.44) AHRTP53MAPTSMN1; SMN2POLB
SCHEMBL19417312 0.77 AHR (0.55) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL13308150 0.76 CYP19A1 (0.49) MAPTTGFBR1MEN1KMT2ACYP1A2
SCHEMBL21392408 0.75 CYP2A6 (0.44) BACE1CTSDMAPTPOLBNPC1
SCHEMBL31314192 0.73 AHR (0.37) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL31443274 0.73 PTPRC (0.45) GRM5AHRTP53PKMSMN1; SMN2

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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