SCHEMBL25147014

SCHEMBL25147014

c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc3c2sc2cc4[nH]c5ccccc5c4cc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 3/20 0.35
▸ GAA P10253 3/20 0.35
▸ SI P14410 3/20 0.35
▸ MGAM2 Q2M2H8 3/20 0.35
▸ NQO2 P16083 1/20 0.35
▸ AHR P35869 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ HTR5A P47898 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MAPT P10636 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
SCHEMBL19679650 0.85 TNKS (0.33) KDM4EALDH1A1HPGDPIM1PIM3
SCHEMBL19320123 0.84 MEN1 (0.39) NQO2HTR2BHTR5ATDO2MEN1
SCHEMBL30117917 0.83 LIMK1 (0.43) KDM4EALDH1A1HPGDPIM1PIM3
SCHEMBL20024207 0.83 LIMK1 (0.43) KDM4EALDH1A1HPGDPIM1PIM3
SCHEMBL16905780 0.83 TNKS (0.36) KDM4EALDH1A1HPGDHSD17B10PIM1
SCHEMBL25147054 0.82 AHR (0.40) GAANQO2AHRKDM4EALDH1A1
SCHEMBL25147010 0.81 PIK3CA (0.37) AHRKDM4EPIM1PIM3PIM2
SCHEMBL18961910 0.81 TNKS (0.32) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL20670240 0.81 MEN1 (0.38) NQO2KDM4EALDH1A1HPGDTSHR
SCHEMBL21427254 0.81 PIM1 (0.41) KDM4EALDH1A1HPGDTSHRHSD17B10

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-2023061998-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-04-20 — — WO disclosed
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