SCHEMBL9001933

SCHEMBL9001933

S=C(NCCCSc1cccc2nccn12)Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.47
KMT2A Q03164 3/20 0.44
LMNA P02545 5/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 4/20 0.42
ALOX12 P18054 3/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL9002430 0.93 MAPT (0.49) QPCTKMT2ALMNAMAPTALOX12
SCHEMBL9002460 0.84 MAPT (0.52) QPCTKMT2ALMNAGAAMAPT
SCHEMBL9002002 0.84 MAPT (0.50) QPCTKMT2ALMNAMAPTALOX12
SCHEMBL9002053 0.81 QPCT (0.48) QPCTKMT2ALMNAGAAMAPT
SCHEMBL9002244 0.80 SMN1; SMN2 (0.46) KMT2ALMNAMAPTHTTMEN1
SCHEMBL9001962 0.78 QPCT (0.35) QPCTKMT2ALMNAMAPTALOX12
SCHEMBL9001935 0.78 QPCT (0.50) QPCTKMT2ALMNAGAAMAPT
SCHEMBL9002818 0.76 ALDH1A1 (0.38) KMT2ALMNAHTTMEN1ALDH1A1
SCHEMBL7846269 0.75 SMN1; SMN2 (0.52) KMT2AHTTMEN1ALDH1A1HPGD
SCHEMBL9002036 0.75 LMNA (0.48) KMT2ALMNAGAAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5587383-A CALMODULIN INHIBITORS; ANTIISCHEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-24 US disclosed
EP-0471236-B1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-03-15 EP disclosed
US-5395839-A Calmodulin and angiogenesis inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-07 US disclosed
US-5244908-A Calmodulin inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-14 US disclosed
EP-0471236-A1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-02-19 EP disclosed