SCHEMBL11310096

SCHEMBL11310096

CNC(=O)NCCSCc1cc[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 6/20 0.37
LMNA P02545 5/20 0.36
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
POLB P06746 1/20 0.34
MTNR1A P48039 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL11819562 0.83 MAPT (0.40) MAPTMEN1HTTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL11362783 0.82 ALDH1A1 (0.33) ACHEMAPTMEN1HTTKMT2A
SCHEMBL11819557 0.82 ABL1 (0.30)
SCHEMBL11314511 0.80
SCHEMBL11324977 0.78 MTNR1A (0.35) KMT2ALMNAMTNR1AMTNR1B
SCHEMBL11355332 0.78 ACHE (0.36) ACHEMAPTMEN1KMT2AALDH1A1
SCHEMBL11355348 0.78 ACHE (0.36) ACHEMAPTMEN1KMT2AALDH1A1
SCHEMBL11315121 0.77 IDO1 (0.34) MAPTMEN1HTTKMT2AALDH1A1
SCHEMBL11312704 0.76 ACHE (0.42) ACHEMAPTMEN1HTTKMT2A
SCHEMBL11177073 0.76 ALDH1A1 (0.55) MAPTMEN1HTTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4307101-A ANTIHISTAMINES AND ANTISECRETORY AGENTS OF THE THIOUREA OR UREA DERIVATIVES 5,6,7,8-TETRAHYDROIMIDAZO(1,5A)PYRIDINE SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-12-22 US disclosed
US-4293697-A ANTIHISTAMINES SMITH, KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-10-06 US disclosed
US-4230865-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-28 US disclosed
US-4226874-A ANTIHISTAMINES, ANTISECRETORY AGENTS, GASTRIC JUICE SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-07 US disclosed
US-4151288-A ANTHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-04-24 US disclosed
US-4137234-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 US disclosed
US-4018931-A INHIBITION OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-04-19 US disclosed
US-3950353-A HISTAMINE INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 US disclosed