SCHEMBL11530441

SCHEMBL11530441

NC(N)=NCCSCc1cnccn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.38
LMNA P02545 1/20 0.38
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HRH2 P25021 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
TSHR P16473 1/20 0.33
MC4R P32245 1/20 0.33
ADRA1A P35348 1/20 0.33
MC3R P41968 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
Sulfuric Acid SCHEMBL11367726 0.93 LMNA (0.47) DAOLMNANOS3NOS1NOS2
SCHEMBL11374098 0.82 HRH4 (0.43) DAOLMNAHRH4HRH3HRH2
SCHEMBL11363583 0.79 MEN1 (0.34) DAONOS3NOS1
SCHEMBL8355755 0.78 LMNA (0.50) DAOLMNAHRH4TSHRSMN1; SMN2
SCHEMBL10857348 0.76 DAO (0.40) DAOHSP90AA1BAZ2BADORA3TSHR
SCHEMBL11575673 0.75 DAO (0.46) DAOHSP90AA1BAZ2BADORA3TSHR
Hydrochloric Acid SCHEMBL11323936 0.75 L3MBTL1 (0.40) DAOHSP90AA1
SCHEMBL11359849 0.74 ALDH1A1 (0.39) DAOLMNAHRH2TSHRADRA1A
SCHEMBL11359850 0.74 ALDH1A1 (0.39) DAOLMNAHRH2TSHRADRA1A
SCHEMBL11354161 0.74 BCHE (0.40) DAOLMNAHRH4HRH3HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4137237-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 US disclosed
US-4070475-A THIOALKYL-, AMINOALKYL-, AND OXYALKYL- SUBSTITUTED GUANIDINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-01-24 US disclosed