SCHEMBL22045031

SCHEMBL22045031

Cc1c2[nH]c3ccccc3c2cc2sc3ccccc3c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.49
▸ MEN1 O00255 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ TNKS O95271 1/20 0.44
▸ TNKS2 Q9H2K2 1/20 0.44
▸ MAP3K9 P80192 3/20 0.44
▸ MAP3K11 Q16584 3/20 0.44
▸ CDK4 P11802 1/20 0.44
▸ CCND1 P24385 1/20 0.44
▸ KIF11 P52732 2/20 0.44
▸ NQO2 P16083 1/20 0.43
▸ AHR P35869 3/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ MAP3K10 Q02779 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
SCHEMBL24593233 0.78 MAPT (0.59) MAPTMEN1KMT2ARAB9ATNKS
SCHEMBL3189571 0.76 KIF11 (0.59) MAPTMEN1KMT2ATNKS2KIF11
SCHEMBL26254185 0.76 GPR3 (0.54) MAPTMEN1KMT2ARAB9ATNKS
SCHEMBL22044246 0.76 MAPT (0.59) MAPTMEN1KMT2ARAB9AKIF11
SCHEMBL29986173 0.74 GABRP (0.56) MAPTMEN1KMT2ARAB9ATNKS
SCHEMBL783085 0.74 GABRP (0.56) MAPTMEN1KMT2ARAB9ATNKS
Carbazole SCHEMBL22577587 0.72 ALDH1A1 (0.67) MAPTMEN1KMT2ARAB9ATNKS
Carbazole SCHEMBL29283446 0.72 ALDH1A1 (0.67) MAPTMEN1KMT2ARAB9ATNKS
SCHEMBL29726994 0.72 KIF11 (0.58) MAPTMEN1KMT2ARAB9ATNKS2
SCHEMBL15019585 0.72 KIF11 (0.58) MAPTMEN1KMT2ARAB9ATNKS2

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
US-10669473-B2 Organic molecules for use in optoelectronic components CYNORA GMBH (DE) 2020-06-02 — — US disclosed
Send feedback