SCHEMBL27462291

SCHEMBL27462291

CC1C(N)=CC(c2ccccc2)=CC1c1ccc2ccccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ EGFR P00533 3/20 0.34
▸ ERBB2 P04626 3/20 0.34
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ SLC6A2 P23975 3/20 0.33
▸ SLC6A4 P31645 3/20 0.33
▸ SLC6A3 Q01959 3/20 0.33
▸ ERBB3 P21860 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ PTK2 Q05397 1/20 0.33
▸ DHFR P00374 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL26726776 0.72 CYP3A4 (0.32) ALDH1A1CYP3A4HSD17B10TDP1CYP1A2
SCHEMBL17413356 0.66 EGFR (0.40) EGFRERBB2SLC6A4ERBB3KDR
SCHEMBL17574000 0.66 — —
SCHEMBL22147291 0.63 PTGER4 (0.36) SLC6A2HTR2BALDH1A1HSD17B10TDP1
SCHEMBL845627 0.59 SLC6A4 (0.45) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL30717243 0.59 SLC6A4 (0.45) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL5852700 0.59 SLC6A4 (0.45) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL22517379 0.59 CYP1A1 (0.51) ADORA2AADORA1CYP1A1CYP1B1DHFR
Biphenyl SCHEMBL27279716 0.58 CYP2A6 (0.81) ALDH1A1CYP3A4HSD17B10CYP2A6TDP1
SCHEMBL6662143 0.58 CYP2A6 (0.38) EGFRERBB2SLC6A2SLC6A4SLC6A3

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
EP-4395497-A1 LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2024-07-03 — — EP disclosed
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