SCHEMBL8986271

SCHEMBL8986271

O=S1(=O)C(c2ccccc2)=C1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
GPR3 P46089 1/20 0.39
GALR1 P47211 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
XBP1 P17861 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CTRC Q99895 1/20 0.37
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CFTR P13569 1/20 0.36
GOPC Q9HD26 1/20 0.36

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
SCHEMBL11659237 0.86 P2RX7 (0.43) ALDH1A1LMNAMAPTHTTGPR3
SCHEMBL9351602 0.86 ALDH1A1 (0.40) ALDH1A1LMNAMAPTHTTGPR3
SCHEMBL6308790 0.84 GPR3 (0.39) ALDH1A1LMNAMAPTHTTGPR3
SCHEMBL3627652 0.80 BCL2L1 (0.42) ALDH1A1LMNAMAPTHTTCA12
SCHEMBL65330 0.77 CTRC (0.36) ALDH1A1LMNAMAPTHTTCA12
SCHEMBL11656759 0.77 PDGFRA (0.38) ALDH1A1LMNAMAPTHTTCA12
Biphenyl SCHEMBL32685219 0.71 ALDH1A1 (0.90) ALDH1A1LMNAMAPTHTTNPC1
SCHEMBL6309408 0.71 GALR1 (0.45) ALDH1A1LMNAMAPTHTTGPR3
Biphenyl SCHEMBL1358618 0.67 ALDH1A1 (1.00) ALDH1A1LMNAMAPTHTTNPC1
Biphenyl SCHEMBL164 0.67 ALDH1A1 (1.00) ALDH1A1LMNAMAPTHTTNPC1

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
EP-0579770-B1 MACROCYCLIC LACTAM PROKINETIC AGENTS ABBOTT LAB (US) 1996-06-26 EP claimed
US-5476743-A Thermoplastic resin, a charge director, a liquid component, an additive selected from cyclic carbonates, cyclic sulfones, cyclic sulfoxides and organic amides, pigments, and a charge adjuvant XEROX CORPORATION (US) 1995-12-19 US claimed
JP-6194702-A None JP disclosed
US-5476743-A Thermoplastic resin, a charge director, a liquid component, an additive selected from cyclic carbonates, cyclic sulfones, cyclic sulfoxides and organic amides, pigments, and a charge adjuvant XEROX CORPORATION (US) 1995-12-19 US disclosed
US-5434208-A Calixarenes, hyperpolarizability AKZO NOBEL N.V. (NL) 1995-07-18 US disclosed
JP-H06194702-A OPTICALLY NONLINEAR ACTIVE WAVEGUIDE MATERIAL CONTAINING DOPANT HAVING PLURAL DONOR-PI-ACCEPTOR SYSTEMS AKZO NV 1994-07-15 JP disclosed
EP-0313474-A2 An optical article exhibiting a high level of second order polarization susceptibility EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1989-04-26 EP disclosed