SCHEMBL10663182

SCHEMBL10663182

Cc1ccc(Sc2ncnc3c(N4CC[S+]([O-])CC4)nc(Cl)nc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ GFER P55789 1/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ BCR P11274 1/20 0.33
▸ ICAM1 P05362 1/20 0.31
▸ SELE P16581 1/20 0.31
▸ VCAM1 P19320 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HTT P42858 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
SCHEMBL10663164 0.91 LMNA (0.36) LMNAMAPTHTR1ADRD2DRD4
SCHEMBL10657475 0.89 CDC7 (0.34) MAPTALDH1A1HTT
SCHEMBL10969947 0.89 ABL1 (0.31) ABL1BCR
SCHEMBL10664690 0.89 — —
SCHEMBL10659055 0.89 HTR2C (0.36) LMNAMAPTHTR1ADRD2DRD4
SCHEMBL10658312 0.89 CDC7 (0.37) LMNAMAPTALDH1A1HTT
SCHEMBL10660617 0.85 STK4 (0.42) LMNAMAPTGFERALDH1A1HTT
SCHEMBL10663270 0.85 SLC29A1 (0.40) MAPTALDH1A1HTT
SCHEMBL10660811 0.83 HTT (0.31) HTT
SCHEMBL10666451 0.83 KHK (0.38) HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4728646-A ANTITHROMBOTICS DR. KARL THOMAE GMBH (DE) 1988-03-01 — — US disclosed
US-4690923-A ANTITHROMBOTICS KARL THOMAE GMBH (DE) 1987-09-01 — — US disclosed
US-4518596-A Antithrombotic use of 2-(perhydro-1,4-diazino)-pyrimido (5,4,D)-pyrimidines DR. KARL THOMAE GMBH (DE) 1985-05-21 — — US disclosed
EP-0055444-B1 TRISUBSTITUTED PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1985-03-20 — — EP disclosed
US-4478833-A ANTICOAGULANTS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-10-23 — — US disclosed
EP-0055444-A2 Trisubstituted pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1982-07-07 — — EP disclosed
EP-0023559-A1 2-(Perhydro-1,4-diazino)-pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-02-11 — — EP disclosed
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