SCHEMBL9001968

SCHEMBL9001968

CCOC(=O)c1c(C)nc2cccc(SCCN)n12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ SMN1; SMN2 Q16637 7/20 0.42
▸ RAB9A P51151 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL9001984 0.83 MAPK1 (0.46) MAPK1KMT2ASMN1; SMN2RAB9AKDM4E
SCHEMBL11877443 0.80 MAPK1 (0.60) MAPK1KMT2ASMN1; SMN2RAB9AKDM4E
Hydrochloric Acid SCHEMBL7868681 0.79 MAPK1 (0.59) MAPK1KMT2ASMN1; SMN2RAB9AKDM4E
SCHEMBL9001947 0.78 ALDH1A1 (0.48) MAPK1KMT2ASMN1; SMN2RAB9AKDM4E
SCHEMBL9002625 0.77 MAPK1 (0.42) MAPK1KMT2ASMN1; SMN2RAB9AKDM4E
SCHEMBL9002771 0.77 GAA (0.64) MAPK1KMT2ASMN1; SMN2RAB9AKDM4E
SCHEMBL7863456 0.76 MAPK1 (0.59) MAPK1KMT2ASMN1; SMN2RAB9AKDM4E
SCHEMBL9001985 0.70 F10 (0.42) KMT2ARAB9AKDM4EGAAALDH1A1
SCHEMBL7863436 0.69 MAPK1 (0.49) MAPK1KMT2ASMN1; SMN2RAB9AKDM4E
SCHEMBL14341768 0.69 KMT2A (0.63) MAPK1KMT2ASMN1; SMN2RAB9AKDM4E

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
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