SCHEMBL10399266

SCHEMBL10399266

Cc1cc[c]c(C(=O)N2CCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.51
POLB P06746 1/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
PLA2G7 Q13093 1/20 0.40

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
SCHEMBL28946280 0.86 SIGMAR1 (0.45) HPGDKMT2A
SCHEMBL10399284 0.86 HPGD (0.48) HPGDNPC1RAB9AKMT2AALDH1A1
SCHEMBL28799060 0.84 HPGD (0.51) HPGDNPC1RAB9AKMT2AALDH1A1
SCHEMBL28799044 0.83 KDM1A (0.42) HPGDKMT2AALDH1A1TP53
SCHEMBL28799042 0.82 KDM1A (0.42) HPGDALDH1A1
SCHEMBL4163752 0.80 SMN1; SMN2 (0.47) HPGDPOLBNPC1RAB9AALDH1A1
SCHEMBL4160380 0.80 HSP90AA1 (0.46) HPGDRAB9AALDH1A1
SCHEMBL4154957 0.79 SMN1; SMN2 (0.46) HPGDPOLBNPC1RAB9AKMT2A
SCHEMBL10388494 0.79 HPGD (0.51) HPGDPOLBNPC1RAB9AKMT2A
SCHEMBL10388311 0.79 NPC1 (0.47) HPGDNPC1RAB9AALDH1A1TP53

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