SCHEMBL139718

SCHEMBL139718

SCCOc1nc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.46
TP53 P04637 5/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ABCB11 O95342 1/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 1/20 0.45
LMNA P02545 2/20 0.43
DDAH1 O94760 1/20 0.43
POLB P06746 1/20 0.43
AR P10275 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MASP2 O00187 1/20 0.43
NUDT1 P36639 1/20 0.43

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
SCHEMBL132762 0.86 NPC1 (0.48) LTA4HTP53NPC1SMN1; SMN2RAB9A
SCHEMBL3974150 0.83 RAB9A (0.53) LTA4HTP53NPC1SMN1; SMN2RAB9A
SCHEMBL23123122 0.82 ACHE (0.63) LTA4HTP53NPC1SMN1; SMN2RAB9A
SCHEMBL23122423 0.81 TSHR (0.49) LTA4HTP53NPC1SMN1; SMN2RAB9A
SCHEMBL2675687 0.80 DDAH1 (0.56) TP53NPC1SMN1; SMN2RAB9AALDH1A1
Boric Acid SCHEMBL28397024 0.79 LTA4H (0.43) LTA4HTP53NPC1SMN1; SMN2RAB9A
SCHEMBL28248398 0.79 NPC1 (0.50) NPC1SMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL6590211 0.79 LTA4H (0.44) LTA4HTP53NPC1SMN1; SMN2RAB9A
SCHEMBL7419107 0.79 SMN1; SMN2 (0.48) LTA4HTP53NPC1SMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL28081465 0.79 DDAH1 (0.55) TP53NPC1SMN1; SMN2RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432092-B1 KIT FOR ELECTRICAL WIRE WATER-SEALING MATERIAL, ELECTRICAL WIRE WATER-SEALING MATERIAL, WATER-SEALING MEMBER, WATER-SEALED ELECTRICAL WIRE, AND WATER-SEALING METHOD JSR CORP (JP) 2016-05-04 EP disclosed
EP-2432092-A1 KIT FOR ELECTRICAL WIRE WATER-SEALING MATERIAL, ELECTRICAL WIRE WATER-SEALING MATERIAL, WATER-SEALING MEMBER, WATER-SEALED ELECTRICAL WIRE, AND WATER-SEALING METHOD JSR Corporation (JP) 2012-03-21 EP disclosed
US-20120055693-A1 KIT FOR PREPARING WATER-SEALING MATERIAL FOR ELECTRICAL WIRE, WATER-SEALING MATERIAL FOR ELECTRICAL WIRE, WATER-SEALING MEMBER, WATER-SEALED ELECTRICAL WIRE, AND WATER-SEALING METHOD JSR CORPORATION (JP) 2012-03-08 US disclosed