SCHEMBL9013604

SCHEMBL9013604

COc1ccc(-c2nc(C)cc(OCCN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.48
ESR1 P03372 1/20 0.48
ALOX5 P09917 1/20 0.47

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
SCHEMBL9013406 0.92
SCHEMBL9013417 0.91 ESR1 (0.46) MEN1KMT2AESR1
SCHEMBL9013741 0.89 MEN1 (0.50) MEN1KMT2ATDP1ALOX5
SCHEMBL9013352 0.88 MEN1 (0.52) MEN1KMT2ATDP1ESR1ALOX5
SCHEMBL9013372 0.87
SCHEMBL9013518 0.87 CYP2D6 (0.46) MEN1KMT2AALOX5
SCHEMBL9013766 0.85 MEN1 (0.47) MEN1KMT2A
SCHEMBL9013728 0.85 LMNA (0.53) ESR1
SCHEMBL9013263 0.85 MEN1 (0.52) MEN1KMT2ATDP1ALOX5
Hydrochloric Acid SCHEMBL9013338 0.82 ESR1 (0.64) ESR1

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-5589477-A LEARNING ENHANCEMENT, CNS NIPPON SHINYAKU COMPANY, LIMITED (JP) 1996-12-31 US disclosed
EP-0555478-A1 PYRIMIDINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-08-18 EP disclosed