SCHEMBL8618478

SCHEMBL8618478

COc1cc(OC)c2c(C(=O)NC(=N)N)cc(-c3ccccc3C)nc2c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 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
SCHEMBL8616639 0.92 THRB (0.39) THRBKDM4ESMN1; SMN2LMNAUSP2
SCHEMBL8619690 0.89 TACR3 (0.40) THRBKDM4ESMN1; SMN2LMNAPOLB
SCHEMBL8619166 0.89 TACR3 (0.40) KDM4ESMN1; SMN2POLBTACR3CA12
SCHEMBL8615841 0.88 TACR3 (0.39) KDM4ESMN1; SMN2LMNAPOLBTACR3
SCHEMBL8614027 0.87 PDE10A (0.47) KDM4ELMNAPOLBHTTALDH1A1
SCHEMBL8613206 0.86 ALDH1A1 (0.45) THRBKDM4ESMN1; SMN2LMNAUSP2
SCHEMBL8617847 0.86 TACR3 (0.42) THRBKDM4ESMN1; SMN2LMNAUSP2
SCHEMBL8619962 0.86 TACR3 (0.42) KDM4ESMN1; SMN2LMNAPOLBTACR3
SCHEMBL8620849 0.86 TACR3 (0.39) KDM4ESMN1; SMN2LMNAPOLBTACR3
SCHEMBL8617698 0.85 CA2 (0.41) KDM4ESMN1; SMN2POLBTACR3CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726254-B1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS (JP) 1998-05-06 EP disclosed
US-5627193-A MEDICAL DIAGNOSIS, CARDIOVASCULAR DIAORDERS AND PROTECTION OF ORGANS FOR TRANSPLANTATION MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-06 US disclosed
EP-0726254-A1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-08-14 EP disclosed