SCHEMBL9002002

SCHEMBL9002002

S=C(NCCSc1cccc2nccn12)Nc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
LMNA P02545 9/20 0.50
HTT P42858 8/20 0.50
MEN1 O00255 8/20 0.50
KMT2A Q03164 8/20 0.50
ALDH1A1 P00352 4/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 7/20 0.47
MAPK1 P28482 3/20 0.47
QPCT Q16769 1/20 0.46
ALOX12 P18054 2/20 0.45
ATM Q13315 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 2/20 0.42
CYP19A1 P11511 1/20 0.42

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 0.90 MAPT (0.49) MAPTLMNAHTTMEN1KMT2A
SCHEMBL9002460 0.89 MAPT (0.52) MAPTLMNAHTTMEN1KMT2A
SCHEMBL9002053 0.87 QPCT (0.48) MAPTLMNAHTTMEN1KMT2A
SCHEMBL9001933 0.84 QPCT (0.47) MAPTLMNAHTTMEN1KMT2A
SCHEMBL9001962 0.82 QPCT (0.35) MAPTLMNAHTTMEN1KMT2A
SCHEMBL9001935 0.79 QPCT (0.50) MAPTLMNAHTTMEN1KMT2A
SCHEMBL9002244 0.77 SMN1; SMN2 (0.46) MAPTLMNAHTTMEN1KMT2A
SCHEMBL9001920 0.75 MTNR1A (0.47) KMT2AALDH1A1NPSR1
SCHEMBL9002076 0.74 ALDH1A1 (0.48) MAPTLMNAHTTMEN1KMT2A
SCHEMBL9001977 0.73 MTNR1B (0.37) MAPTLMNAMEN1KMT2AALDH1A1

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