SCHEMBL8681802

SCHEMBL8681802

O=C(Cl)CCSSc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
EHMT2 Q96KQ7 1/20 0.52
EHMT1 Q9H9B1 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
KMT2A Q03164 3/20 0.49
MAPT P10636 1/20 0.49
MEN1 O00255 2/20 0.42
PKM P14618 1/20 0.42
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
HPGD P15428 4/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL12369378 0.92 ALDH1A1 (0.49) ALDH1A1EHMT2EHMT1APOBEC3GKMT2A
SCHEMBL98030 0.88 ALDH1A1 (0.73) ALDH1A1EHMT2EHMT1APOBEC3GKMT2A
SCHEMBL29811281 0.88 ALDH1A1 (0.73) ALDH1A1EHMT2EHMT1APOBEC3GKMT2A
SCHEMBL13739021 0.87 ALDH1A1 (0.57) ALDH1A1EHMT2EHMT1APOBEC3GKMT2A
Succinic Acid SCHEMBL28529727 0.87 ALDH1A1 (0.71) ALDH1A1EHMT2EHMT1APOBEC3GKMT2A
SCHEMBL30308346 0.87 ALDH1A1 (0.71) ALDH1A1EHMT2EHMT1APOBEC3GKMT2A
SCHEMBL509519 0.85 ALDH1A1 (0.55) ALDH1A1EHMT2EHMT1APOBEC3GKMT2A
SCHEMBL76157 0.85 ALDH1A1 (0.55) ALDH1A1EHMT2EHMT1APOBEC3GKMT2A
SCHEMBL10064444 0.85 ALDH1A1 (0.55) ALDH1A1EHMT2EHMT1APOBEC3GKMT2A
SCHEMBL18519250 0.85 ALDH1A1 (0.55) ALDH1A1EHMT2EHMT1APOBEC3GKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115003308-A Targeted steroid compounds 普渡研究基金会 2022-09-02 CN disclosed
US-5849906-A Antigenic conjugates of polycyclic aromatic hydrocarbons to nucleosides CAVALIERI ERCOLE (US) 1998-12-15 US disclosed
US-5686071-A Polymer affinity system for the delivery of cytotoxic material and other compounds to sites of disease PER IMMUNE HOLDINGS, INC. (US) 1997-11-11 US disclosed
WO-1996039124-A1 POLYMER AFFINITY SYSTEMS FOR THE DELIVERY OF CYTOTOXIC MATERIALS AND OTHER COMPOUNDS TO SITES OF DISEASE AKZO NOBEL N.V. (NL) 1996-12-12 WO disclosed