SCHEMBL9476458

SCHEMBL9476458

Sc1nc2ccc(Nc3nc(Cl)nc(Cl)n3)cc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 4/20 0.44
▸ KDR P35968 1/20 0.42
▸ TERT O14746 1/20 0.42
▸ TXN P10599 1/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ APP P05067 4/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CREBBP Q92793 1/20 0.38

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
SCHEMBL1391803 0.82 KDM4E (0.61) NFKB1TERTMEN1KMT2AKDM4E
SCHEMBL1391338 0.79 KDM4E (0.61) NFKB1KDRTERTMEN1KMT2A
SCHEMBL7879059 0.76 CYP1A2 (0.44) MEN1KMT2AKDM4EMAPTMAPK1
SCHEMBL24490505 0.75 FADS1 (0.41) TERTMEN1KMT2AKDM4EMAPT
SCHEMBL6394544 0.75 KDR (0.67) NFKB1KDRMEN1KMT2AKDM4E
SCHEMBL9474913 0.73 CRHR1 (0.40) TERTMEN1KMT2AKDM4EMAPT
SCHEMBL3100845 0.72 NPC1 (0.56) MEN1KMT2AKDM4EMAPTAPP
SCHEMBL9475606 0.72 KDM4E (0.40) TERTMEN1KMT2AKDM4EMAPT
SCHEMBL24497026 0.72 EGFR (0.40) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL2804015 0.71 RAB9A (0.41) MEN1KMT2AKDM4EMAPTAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5243047-A Triazole/thiazole amino-s-triazine bonding agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-09-07 — — US disclosed
US-4978756-A A 2-MERCAPTO, ALKYLANOYL, ALKENOYL OR ALKDIENOYL AMINO BENZOTHIOZOLE; METALS PROTECTIVE COATING; IMPROVED BONDING OF METALS AND RUBBER; TIRE CORDS ICI AMERICAS INC. (US) 1990-12-18 — — US disclosed
EP-0331279-A2 Compound and use ZENECA LIMITED (GB) 1989-09-06 — — EP disclosed
Send feedback