SCHEMBL10658312

SCHEMBL10658312

COc1ccc(Sc2ncnc3c(N4CC[S+]([O-])CC4)nc(Cl)nc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.37
▸ DBF4 Q9UBU7 1/20 0.37
▸ MAPT P10636 10/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ TP53 P04637 4/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ HPGD P15428 3/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ LMNA P02545 3/20 0.33
▸ PTGIR P43119 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ KMT2A Q03164 4/20 0.32

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
SCHEMBL10663182 0.89 LMNA (0.34) MAPTALDH1A1LMNAHTT
SCHEMBL10663164 0.89 LMNA (0.36) MAPTSMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL10969947 0.87 ABL1 (0.31) —
SCHEMBL10664690 0.87 — —
SCHEMBL10657475 0.87 CDC7 (0.34) CDC7DBF4MAPTALDH1A1HTT
SCHEMBL10659055 0.86 HTR2C (0.36) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL10662500 0.86 MAPT (0.47) CDC7DBF4MAPTSMN1; SMN2RAB9A
SCHEMBL10666008 0.85 SLC29A1 (0.42) MAPTSMN1; SMN2TP53RAB9AKDM4E
SCHEMBL10764730 0.84 HTR3A (0.39) CDC7DBF4MAPTSMN1; SMN2KDM4E
SCHEMBL11031003 0.82 GBA1 (0.41) CDC7DBF4MAPTALDH1A1KMT2A

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 8 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-0023559-B1 2-(PERHYDRO-1,4-DIAZINO)-PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1984-09-19 — — EP 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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