SCHEMBL6581841

SCHEMBL6581841

Cc1cc2[nH]cnc2c(C)c1N=C=S

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PNP P00491 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ PRNP P04156 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PARP1 P09874 1/20 0.31

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
SCHEMBL6581851 0.75 — —
SCHEMBL11097769 0.74 MEN1 (0.59) MEN1KMT2APNPALDH1A1PRNP
SCHEMBL6581511 0.71 MEN1 (0.51) MEN1KMT2APNPALDH1A1PRNP
SCHEMBL8927071 0.69 PARP1 (0.34) MEN1KMT2APARP1
SCHEMBL8927068 0.69 PDPK1 (0.32) MEN1KMT2APARP1
SCHEMBL16707451 0.68 GABRA1 (0.36) —
SCHEMBL12936075 0.68 MEN1 (0.45) MEN1KMT2APNPALDH1A1PRNP
SCHEMBL30507636 0.67 MEN1 (0.38) MEN1KMT2AALDH1A1PRNPMAPT
SCHEMBL21733507 0.66 MEN1 (0.54) MEN1KMT2APNPALDH1A1PRNP
SCHEMBL31460305 0.66 MEN1 (0.54) MEN1KMT2APNPALDH1A1PRNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037887-B1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY PROCTER & GAMBLE (US) 2004-07-14 — — EP disclosed
US-6486190-B1 5-(2-imidazolinylamino)-benzimidazole derivatives, their preparation and their use as .alpha.-adrenoceptor agonists with improved metabolic stability THE PROCTER & GAMBLE COMPANY 2002-11-26 — — US disclosed
EP-1037887-A1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY THE PROCTER & GAMBLE COMPANY (US) 2000-09-27 — — EP disclosed
EP-0975627-A1 5-(2-IMIDAZOLINYLAMINO)BENZIMIDAZOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 2000-02-02 — — EP disclosed
WO-1999026942-A1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY THE PROCTER & GAMBLE COMPANY (US) 1999-06-03 — — WO disclosed
WO-1998046595-A1 5-(2-IMIDAZOLINYLAMINO)BENZIMIDAZOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1998-10-22 — — WO disclosed
Send feedback