SCHEMBL10399327

SCHEMBL10399327

CN(C)c1cc[c]c(C(=O)N2CCCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.42
ALDH1A1 P00352 3/20 0.42
LPAR5 Q9H1C0 2/20 0.39
TSHR P16473 2/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 2/20 0.37
AR P10275 1/20 0.36
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
CCKBR P32239 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL10399266 0.78 HPGD (0.51) HPGDALDH1A1TSHRKMT2AMAPK1
SCHEMBL10388311 0.77 NPC1 (0.47) HPGDALDH1A1NPC1GLA
SCHEMBL10388494 0.77 HPGD (0.51) HPGDALDH1A1TSHRKMT2ANPC1
SCHEMBL4154957 0.77 SMN1; SMN2 (0.46) HPGDALDH1A1TSHRKMT2ANPC1
SCHEMBL4163752 0.75 SMN1; SMN2 (0.47) HPGDALDH1A1TSHRNPC1HTT
SCHEMBL8765661 0.74 ALDH1A1 (0.44) HPGDALDH1A1TSHRKMT2AMAPK1
SCHEMBL1642860 0.71 HPGD (0.55) HPGDALDH1A1TSHRKMT2AMAPK1
SCHEMBL2455541 0.71 HPGD (0.71) HPGDALDH1A1TSHRKMT2AMAPK1
SCHEMBL3897119 0.71 L3MBTL3 (0.48) HPGDALDH1A1LPAR5TSHRKMT2A
SCHEMBL10399243 0.70 MAPT (0.40) HPGDALDH1A1TSHRKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4966983-A PRESSURE OR HEAT SENSITIVE ELEMENTS BASF AKTIENGESELLSCHAFT (DE) 1990-10-30 US disclosed
US-4841050-A Carbazole containing benzopyrans BASF AKTIENGESELLSCHAFT (DE) 1989-06-20 US disclosed
EP-0236973-B1 BENZOPYRANES AND THEIR USE IN A RECORDING SYSTEM BASF Aktiengesellschaft (DE) 1989-06-14 EP disclosed
EP-0236973-A2 Benzopyranes and their use in a recording system BASF Aktiengesellschaft (DE) 1987-09-16 EP disclosed