SCHEMBL8566324

SCHEMBL8566324

Clc1ccc(-c2cnc3cccnc3n2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.48
ACHE P22303 3/20 0.48
CYP2A6 P11509 1/20 0.46
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GLA P06280 2/20 0.40
LMNA P02545 1/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39

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
SCHEMBL8499783 0.78 ALDH1A1 (0.39) CYP2A6KDM4EALDH1A1MAPTMEN1
SCHEMBL8562276 0.73 CYP2A6 (0.47) CYP2A6KDM4EALDH1A1MAPTMEN1
SCHEMBL1597577 0.72 BCHE (0.46) BCHEACHEKDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL11604764 0.71 BCHE (0.45) BCHEACHEKDM4EALDH1A1SMN1; SMN2
SCHEMBL23143409 0.70 BCHE (0.60) BCHEACHESMN1; SMN2PDGFRBPDGFRA
SCHEMBL10960575 0.69 KDM4E (0.72) CYP2A6KDM4EALDH1A1MAPTMEN1
SCHEMBL2928822 0.69 BCHE (0.46) BCHEACHEKDM4EALDH1A1MAPT
SCHEMBL9908948 0.68 BCHE (0.65) BCHEACHEALDH1A1MAPTSMN1; SMN2
SCHEMBL9908947 0.68 BCHE (0.57) BCHEACHEKDM4EALDH1A1MAPT
SCHEMBL12986794 0.68 BCHE (0.57) BCHEACHEMAPTSMN1; SMN2HSD17B1

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-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