SCHEMBL10659055

SCHEMBL10659055

[O-][S+]1CCN(c2nc(Cl)nc3c(Sc4ccccc4)ncnc23)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HTR1A P08908 2/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ DRD4 P21917 2/20 0.33
▸ CNR2 P34972 1/20 0.32
▸ SLC29A1 Q99808 1/20 0.31
▸ PTPN11 Q06124 1/20 0.30

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) HTR2CMAPTLMNASMN1; SMN2NPC1
SCHEMBL10663182 0.89 LMNA (0.34) MAPTLMNAALDH1A1HTR1ADRD2
SCHEMBL10969947 0.89 ABL1 (0.31) —
SCHEMBL10664690 0.89 — —
SCHEMBL10657475 0.89 CDC7 (0.34) MAPTALDH1A1
SCHEMBL10658312 0.86 CDC7 (0.37) MAPTLMNASMN1; SMN2NPC1ALDH1A1
SCHEMBL10660836 0.84 LMNA (0.42) MAPTLMNASMN1; SMN2NPC1ALDH1A1
SCHEMBL10662831 0.84 HIF1A (0.40) HTR2CHRH4MAPTLMNASMN1; SMN2
SCHEMBL10660526 0.84 SLC29A1 (0.42) MAPTLMNASMN1; SMN2NPC1ALDH1A1
SCHEMBL10661255 0.83 NPC1 (0.36) HTR2CMAPTLMNASMN1; SMN2NPC1

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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