SCHEMBL11530435

SCHEMBL11530435

N=C(N)NCCSCc1cnccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.36
▸ TSHR P16473 2/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HRH2 P25021 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ BAZ2B Q9UIF8 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ MC4R P32245 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ MC3R P41968 1/20 0.31
▸ HRH4 Q9H3N8 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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 SCHEMBL11367723 0.93 DAO (0.36) DAOTSHRHIF1ALMNAHDAC3
SCHEMBL11321596 0.85 BAZ2B (0.38) DAOTSHRHRH2CYP3A4CYP2D6
SCHEMBL11374070 0.81 CYP3A4 (0.37) DAOTSHRHRH2CYP3A4CYP2D6
SCHEMBL8355751 0.79 LMNA (0.55) TSHRMAPTLMNAHRH3ALDH1A1
SCHEMBL11363580 0.79 DAO (0.35) DAOMAPTHDAC3HDAC1HDAC2
SCHEMBL11326227 0.77 DAO (0.38) DAOTSHRMAPTLMNAHDAC3
SCHEMBL11310363 0.77 HRH2 (0.37) DAOHRH2MAPTLMNAHRH4
SCHEMBL11364100 0.76 HDAC3 (0.38) TSHRLMNAHDAC3HDAC1HDAC2
SCHEMBL10857348 0.74 DAO (0.40) DAOTSHRCYP3A4CYP2D6HDAC3
SCHEMBL8352277 0.73 TSHR (0.33) TSHRHIF1AHRH2CYP3A4CYP2D6

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
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