SCHEMBL31484357

SCHEMBL31484357

CC1=NN(c2ccccc2C)C(c2ccccc2)N1.CC1=NN(c2ccccc2C)C(c2ccccc2)N1.CC1=NN(c2ccccc2C)C(c2ccccc2)N1.[Ir+3]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.39
▸ KDM4E B2RXH2 6/20 0.39
▸ HPGD P15428 6/20 0.39
▸ TDP1 Q9NUW8 4/20 0.39
▸ ALOX12 P18054 2/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ ADRB1 P08588 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ P2RX7 Q99572 2/20 0.33
▸ AR P10275 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL11372777 0.65 MAPT (0.41) ALDH1A1KDM4EHPGDTDP1MEN1
SCHEMBL28428031 0.64 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDTDP1MEN1
SCHEMBL28911074 0.64 ALDH1A1 (0.38) ALDH1A1HPGDMGLLTSHRAR
SCHEMBL13799718 0.62 LOX (0.40) ALDH1A1KDM4EHPGDTDP1MEN1
SCHEMBL30103792 0.61 BRD4 (0.46) ALDH1A1KDM4EHPGDTDP1ALOX12
SCHEMBL19650676 0.60 AR (0.43) ALDH1A1KDM4EHPGDMGLLMEN1
SCHEMBL16812886 0.60 AR (0.43) ALDH1A1KDM4EHPGDMGLLMEN1
SCHEMBL11921036 0.59 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDALOX12MGLL
SCHEMBL14045608 0.59 SLC18A3 (0.41) ALDH1A1HPGDMGLLMEN1KMT2A
SCHEMBL13196859 0.59 BRD4 (0.47) ALDH1A1KDM4EHPGDTDP1ALOX12

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-119751334-A Organic compound, light-emitting element, light-emitting device, electronic device, and lighting device 株式会社半导体能源研究所 2025-04-04 — — CN disclosed
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