SCHEMBL6674154

SCHEMBL6674154

CC(C)c1nc2c([nH]1)C(=O)NCN2Cc1ccc(Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.36
▸ HTR6 P50406 1/20 0.35
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ TOP2A P11388 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ TACR2 P21452 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6675784 0.87 GAA (0.42) GRM2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL6673821 0.82 CMA1 (0.43) KMT2AMEN1ALDH1A1HPGDTSHR
SCHEMBL6675820 0.76 MAPK1 (0.46) KMT2AMEN1ALDH1A1TSHRMAPK1
SCHEMBL10508281 0.67 HPRT1 (0.49) —
SCHEMBL3229725 0.63 ADORA2A (0.47) P2RX3
SCHEMBL7676540 0.63 BRD4 (0.51) KMT2AMEN1ALDH1A1HPGDTSHR
SCHEMBL6674156 0.63 PNP (0.53) KMT2AMEN1ALDH1A1HPGDTSHR
SCHEMBL7091342 0.63 KDM4E (0.42) KMT2AMEN1ALDH1A1HPGDTSHR
SCHEMBL20432204 0.63 TYMS (0.47) ALDH1A1HPGDTSHRSMN1; SMN2KDM4E
SCHEMBL7680197 0.62 TLR7 (0.48) KMT2AMEN1ALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202628-B1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2004-10-13 — — EP claimed
EP-1202628-A4 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2002-10-30 — — EP claimed
EP-1202628-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS Euro-Celtique S.A. (LU) 2002-05-08 — — EP claimed
WO-2001011967-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2001-02-22 — — WO claimed
EP-1202628-B1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2004-10-13 — — EP disclosed
EP-1202628-A4 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2002-10-30 — — EP disclosed
EP-1202628-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS Euro-Celtique S.A. (LU) 2002-05-08 — — EP disclosed
WO-2001011967-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2001-02-22 — — WO disclosed
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