SCHEMBL10399208

SCHEMBL10399208

Clc1[c]sc(N2CCCCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
SMN1; SMN2 Q16637 9/20 0.39
RAB9A P51151 7/20 0.39
NPC1 O15118 6/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 3/20 0.39
ALOX15 P16050 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 2/20 0.37
MAPK1 P28482 1/20 0.37
TP53 P04637 2/20 0.34
AR P10275 1/20 0.34

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
SCHEMBL6126624 0.73 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL8632037 0.63 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL23000151 0.61 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL5949903 0.60 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HPGDHSD17B10ALOX15
SCHEMBL9162883 0.60 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL29954693 0.59 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL744777 0.58 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL29233494 0.58
SCHEMBL2242665 0.58 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2RAB9ANPC1HSD17B10
SCHEMBL778332 0.58 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2RAB9ANPC1HSD17B10

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