SCHEMBL7862027

SCHEMBL7862027

O=C(c1cccs1)c1ccc(-c2cccs2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 1.00
LMNA P02545 4/20 1.00
NPC1 O15118 4/20 1.00
RAB9A P51151 4/20 1.00
HPGD P15428 3/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
GAA P10253 2/20 1.00
L3MBTL1 Q9Y468 2/20 1.00
HSD17B10 Q99714 2/20 1.00
POLB P06746 2/20 1.00
TP53 P04637 1/20 1.00
NFKB1 P19838 1/20 1.00
MAPK1 P28482 1/20 1.00
CASP1 P29466 1/20 1.00
CASP7 P55210 1/20 1.00
NFKB2 Q00653 1/20 1.00
RELA Q04206 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
KDM4E B2RXH2 3/20 0.67

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
SCHEMBL7870469 0.94 ALDH1A1 (0.89) ALDH1A1LMNANPC1RAB9AHPGD
SCHEMBL6494787 0.85 HPGD (0.72) ALDH1A1LMNANPC1RAB9AHPGD
SCHEMBL1761399 0.81 ALDH1A1 (0.71) ALDH1A1LMNANPC1RAB9AHPGD
SCHEMBL5999214 0.81 ALDH1A1 (0.71) ALDH1A1LMNANPC1RAB9AHPGD
SCHEMBL7862009 0.81 ALDH1A1 (0.68) ALDH1A1LMNANPC1RAB9AHPGD
SCHEMBL182010 0.80 CES2 (0.71) ALDH1A1LMNANPC1RAB9AHPGD
SCHEMBL4280023 0.80 ALDH1A1 (0.69) ALDH1A1LMNANPC1RAB9AHPGD
SCHEMBL3054745 0.80 ALDH1A1 (0.69) ALDH1A1LMNANPC1RAB9AHPGD
SCHEMBL5999215 0.80 ALDH1A1 (0.69) ALDH1A1LMNANPC1RAB9AHPGD
SCHEMBL4319368 0.80 ALDH1A1 (1.00) ALDH1A1LMNANPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6312811-B1 Photochromic naphtho [2,1-b]pyran compounds containing bithienyl or terthienyl substituents, process for their manufacture, and photochromic materials and articles obtained ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2001-11-06 US disclosed