SCHEMBL24948914

SCHEMBL24948914

Clc1ccc(Nc2ccccc2-c2ccc3ccccc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.48
▸ CYP2A6 P11509 1/20 0.44
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ GSTP1 P09211 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ACP1 P24666 1/20 0.42
▸ HDAC4 P56524 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ KDR P35968 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40

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
SCHEMBL4579836 0.92 ALDH1A1 (0.50) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL24911621 0.89 ALDH1A1 (0.47) CNR1MEN1KMT2ANPC1RAB9A
SCHEMBL29830533 0.89 ALDH1A1 (0.47) CNR1MEN1KMT2ANPC1RAB9A
SCHEMBL24553505 0.87 ALDH1A1 (0.50) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL23142162 0.87 ALDH1A1 (0.53) MEN1KMT2AALDH1A1HPGDGSTP1
SCHEMBL29893694 0.87 ALDH1A1 (0.53) ALDH1A1HPGDGSTP1CYP3A4HSD17B10
SCHEMBL29104474 0.87 ALDH1A1 (0.53) ALDH1A1HPGDGSTP1CYP3A4HSD17B10
SCHEMBL314840 0.83 ALDH1A1 (0.42) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL28464994 0.83 HSD17B10 (0.49) ALDH1A1HPGDGSTP1CYP3A4HSD17B10
SCHEMBL27012225 0.83 GSTP1 (0.55) ALDH1A1HPGDGSTP1CYP3A4HSD17B10

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
WO-2023003403-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 — — WO disclosed
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