SCHEMBL9311536

SCHEMBL9311536

COC(=O)c1ccc(CCC(=O)c2cccnc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
KMT2A Q03164 5/20 0.55
PLOD2 O00469 1/20 0.50
HTT P42858 1/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 1/20 0.49
CYP4A11 Q02928 2/20 0.49
LMNA P02545 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP4F2 P78329 1/20 0.48
MAPK1 P28482 1/20 0.46

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
SCHEMBL9312180 0.86 ALDH1A1 (0.67) ALDH1A1KMT2APLOD2HTTNPC1
SCHEMBL8996082 0.83 ALDH1A1 (0.61) ALDH1A1KMT2ACYP4A11CYP4F2
SCHEMBL1980745 0.83 RAB9A (0.67) ALDH1A1CYP4A11NPC1RAB9ASMN1; SMN2
SCHEMBL3247901 0.81 PLOD2 (0.65) ALDH1A1KMT2APLOD2HDAC1HDAC8
SCHEMBL30965433 0.81 PLOD2 (0.65) ALDH1A1KMT2APLOD2HDAC1HDAC8
SCHEMBL7427297 0.81 CYP4A11 (0.59) ALDH1A1CYP4A11CYP4F2
Benzoic Acid SCHEMBL9312070 0.81 ALDH1A1 (0.58) ALDH1A1KMT2APLOD2HTTLMNA
SCHEMBL9364176 0.80 KMT2A (0.52) KMT2APLOD2HDAC1HDAC8
SCHEMBL16316803 0.80 KMT2A (0.57) ALDH1A1KMT2APLOD2HTTHDAC1
SCHEMBL25279569 0.80 TDP1 (0.72) ALDH1A1KMT2AHTTHDAC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5374641-A Thromboxane synthetase inhibitors, prostaglandin H2 antagonist , anticoagulants and antiallergens TERUMO KABUSHIKI KAISHA (JP) 1994-12-20 US disclosed
EP-0501876-A1 N-(3-pyridylalkyl)sulfonamide derivative and pharmaceutical preparation containing thereof TERUMO KABUSHIKI KAISHA (JP) 1992-09-02 EP disclosed