SCHEMBL10858131

SCHEMBL10858131

N=C(NCCCNC(=N)NCCSCc1cc[nH]n1)NCCSCc1cc[nH]n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.33
▸ LMNA P02545 5/20 0.33
▸ HPGD P15428 4/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MAPT P10636 3/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ POLB P06746 1/20 0.30

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
Hydrochloric Acid SCHEMBL11362783 0.86 ALDH1A1 (0.33) ALDH1A1LMNAHPGDSMN1; SMN2MAPT
SCHEMBL10858680 0.85 MAPT (0.38) ALDH1A1LMNAHPGDSMN1; SMN2MAPT
SCHEMBL11362104 0.83 CYP3A4 (0.37) ALDH1A1LMNAHPGDSMN1; SMN2MAPT
SCHEMBL11367818 0.82 ALDH1A1 (0.34) ALDH1A1LMNAHPGDSMN1; SMN2MAPT
Sulfuric Acid SCHEMBL11371102 0.78 ALOX15 (0.38) ALDH1A1LMNAHPGDSMN1; SMN2MAPT
SCHEMBL11315121 0.78 IDO1 (0.34) ALDH1A1LMNAHPGDSMN1; SMN2MAPT
SCHEMBL10861848 0.75 ATM (0.33) ALDH1A1LMNAHPGDSMN1; SMN2POLB
SCHEMBL11310096 0.75 ACHE (0.40) ALDH1A1LMNAHPGDSMN1; SMN2MAPT
SCHEMBL11819562 0.75 MAPT (0.40) ALDH1A1LMNAHPGDSMN1; SMN2MAPT
SCHEMBL10859951 0.75 ALDH1A1 (0.33) ALDH1A1LMNAHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4578388-A HISTAMINE H2-ANTAGONIST; ANTISECRETORY AGENTS SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1986-03-25 — — US disclosed
US-4405621-A Heterocyclic thioureas, isothioureas, guanidines and nitromethylene-amidines SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-09-20 — — US disclosed
US-4301165-A INHIBITORS OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-11-17 — — US disclosed
US-4197305-A Thiazole, isothiazole, oxazole and isoxazole compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-04-08 — — US disclosed
US-4151289-A INHIBITORS OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-04-24 — — US disclosed
US-4137319-A INHIBITORS OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 — — US disclosed
US-4133886-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-09 — — US disclosed
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