SCHEMBL8499783

SCHEMBL8499783

Clc1ccc(-c2cnc3cncnc3n2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2A6 P11509 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
KDM4E B2RXH2 3/20 0.37
KDM1A O60341 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GLA P06280 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL8566324 0.78 BCHE (0.48) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL8562276 0.76 CYP2A6 (0.47) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL8499230 0.75 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL2467156 0.70 ALDH1A1 (0.41) ALDH1A1PIK3CGRPS6KA5RPS6KA4TSHR
SCHEMBL8887646 0.68 NPC1 (0.56) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL8502771 0.67 PIK3CA (0.43) ALDH1A1MAPTCYP2A6PDGFRBPDGFRA
SCHEMBL6618369 0.67 PDGFRB (0.40) ALDH1A1MEN1KMT2AMAPTPDGFRB
SCHEMBL9132288 0.67 PDGFRB (0.40) ALDH1A1MEN1KMT2AMAPTPDGFRB
SCHEMBL6617109 0.67 PDGFRB (0.40) ALDH1A1MEN1KMT2AMAPTPDGFRB
SCHEMBL8501924 0.67 PIK3CA (0.43) ALDH1A1MAPTCYP2A6PDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE36256-E ADMINISTERING ARYL-SUBSTITUTED QUINOXALINE DERIVATIVES AS ANTIPROLIFERATIVE, ANTICARCINOGENIC AND ANTITUMOR AGENTS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-20 US disclosed
US-5795889-A INHIBITING CELL GROWTH WITH ENZYME INHIBITORS FOR SKIN DISORDERS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-08-18 US disclosed
US-5646153-A INHIBITING ABNORMAL CELL PROLIFERATION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-08 US disclosed
US-5480883-A Bis mono- and bicyclic aryl and heteroaryl compounds which inhibit EGF and/or PDGF receptor tyrosine kinase RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-01-02 US disclosed