SCHEMBL21064780

SCHEMBL21064780

Cc1ccc2[nH]c3ccccc3c(=S)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ POLB P06746 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ KIF11 P52732 2/20 0.61
▸ CDK4 P11802 1/20 0.59
▸ CCND1 P24385 1/20 0.59
▸ ALDH1A1 P00352 5/20 0.53
▸ HSD17B10 Q99714 4/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ HPGD P15428 3/20 0.53
▸ ALOX15 P16050 2/20 0.53
▸ RXFP1 Q9HBX9 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ GABRP O00591 1/20 0.50
▸ GABRD O14764 1/20 0.50
▸ GABRA1 P14867 1/20 0.50
▸ GABRB1 P18505 1/20 0.50

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
SCHEMBL262221 0.84 KIF11 (0.77) NPC1MEN1POLBKMT2AKIF11
Carbazole SCHEMBL28016320 0.84 KIF11 (0.77) NPC1MEN1POLBKMT2AKIF11
SCHEMBL29563317 0.84 KIF11 (0.77) NPC1MEN1POLBKMT2AKIF11
SCHEMBL19770686 0.82 CDK4 (0.75) MEN1KMT2AKIF11CDK4CCND1
SCHEMBL745474 0.82 ALDH1A1 (0.68) MEN1KMT2AKIF11CDK4CCND1
SCHEMBL29558542 0.82 ALDH1A1 (0.68) MEN1KMT2AKIF11CDK4CCND1
SCHEMBL29814291 0.82 ALDH1A1 (0.68) MEN1KMT2AKIF11CDK4CCND1
SCHEMBL21972829 0.79 KIF11 (0.75) NPC1MEN1POLBKMT2AKIF11
SCHEMBL21972721 0.79 MEN1 (0.66) NPC1MEN1POLBKMT2AKIF11
SCHEMBL17616019 0.78 MEN1 (1.00) NPC1MEN1POLBKMT2AKIF11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10330603-B1 Mass produced, low cost, portable test kit for the detection and identification of chemical and biological agents VERITEQUE USA, INC. 2019-06-25 — — US claimed
US-10330603-B1 Mass produced, low cost, portable test kit for the detection and identification of chemical and biological agents VERITEQUE USA, INC. 2019-06-25 — — US disclosed
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