SCHEMBL10952008

SCHEMBL10952008

Cc1onc(-c2ccccc2)c1-c1[nH]c2ccccc2c1C(C)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
PTGS2 P35354 5/20 0.44
PTGS1 P23219 3/20 0.44
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.39
BRD4 O60885 2/20 0.38
HTT P42858 3/20 0.37
MT-CO2 P00403 3/20 0.37
LMNA P02545 3/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IRS1 P35568 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36

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
SCHEMBL10955308 0.91 PTGS2 (0.43) MAPTPTGS2PTGS1KMT2ANPSR1
SCHEMBL10958599 0.91 PTGS2 (0.43) MAPTPTGS2PTGS1KMT2ANPSR1
SCHEMBL10924962 0.78 PTGS2 (0.48) MAPTPTGS2PTGS1KMT2ANPSR1
SCHEMBL10927027 0.77 PTGS2 (0.46) MAPTPTGS2PTGS1KMT2ANPSR1
SCHEMBL10832445 0.76 HTR2A (0.65) MAPTPTGS2PTGS1KMT2ANPSR1
SCHEMBL10924834 0.76 HTR2A (0.57) MAPTPTGS2PTGS1KMT2ANPSR1
SCHEMBL10924633 0.75 PTGS2 (0.44) MAPTPTGS2PTGS1KMT2ANPSR1
SCHEMBL11056340 0.75 KMT2A (0.53) MAPTPTGS2PTGS1KMT2ANPSR1
SCHEMBL10925883 0.74 HTR2A (0.57) MAPTPTGS2PTGS1KMT2ANPSR1
SCHEMBL10832551 0.74 PTGS2 (0.45) MAPTPTGS2PTGS1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4415568-A ANTIDIABETIC AND HYPOGLYCEMIC AGENTS SANDOZ, INC. (US) 1983-11-15 US claimed
US-4336378-A ANTIDIABETIC AGENTS SANDOZ, INC. (US) 1982-06-22 US claimed
US-4544663-A ASPERMATOGENESIS INDUCERS SANDOZ, INC. (US) 1985-10-01 US disclosed
US-4453001-A ANTIDIABETIC AGENTS SANDOZ, INC. (US) 1984-06-05 US disclosed
US-4415568-A ANTIDIABETIC AND HYPOGLYCEMIC AGENTS SANDOZ, INC. (US) 1983-11-15 US disclosed
US-4336378-A ANTIDIABETIC AGENTS SANDOZ, INC. (US) 1982-06-22 US disclosed