SCHEMBL27449134

SCHEMBL27449134

Cc1cccc(C(=O)OC[SH](=O)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ ADRB2 P07550 2/20 0.51
▸ ADRB1 P08588 2/20 0.51
▸ ADRB3 P13945 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ PARP1 P09874 1/20 0.49
▸ TDP1 Q9NUW8 3/20 0.47
▸ PKM P14618 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL27316601 0.83 LOXL2 (0.53) NPC1RAB9AKDM4ETSHRHPGD
SCHEMBL822797 0.82 NPC1 (0.57) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL9044225 0.82 L3MBTL1 (0.61) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL570920 0.82 TDP1 (0.60) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL29360475 0.82 TDP1 (0.60) NPC1RAB9AADRB2ADRB1ADRB3
Ammonia Solution, Strong SCHEMBL27753074 0.81 TDP1 (0.59) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL27980680 0.81 NPC1 (0.56) NPC1RAB9AADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL28864124 0.81 L3MBTL1 (0.59) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL6972310 0.79 NPC1 (0.55) NPC1RAB9AADRB2ADRB1ADRB3
SCHEMBL13773348 0.79 PARP1 (0.56) NPC1RAB9AADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1112550-A 4-amino-1-piperidylbenzoylguanidine MERCK PATENT GMBH (DE) 1995-11-29 — — CN disclosed
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