SCHEMBL9202042

SCHEMBL9202042

O=C1c2ccccc2C2SC=CN12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.41
▸ POLB P06746 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ GAA P10253 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PKM P14618 3/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ STAT1 P42224 1/20 0.33

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
SCHEMBL17076613 0.66 ALDH1A1 (0.33) ALDH1A1POLBHPGDKMT2AMEN1
SCHEMBL18153203 0.64 HTR2A (0.44) ALDH1A1POLBHPGDKMT2AMEN1
SCHEMBL5508076 0.63 ALDH1A1 (0.52) ALDH1A1POLBHPGDKMT2AMEN1
SCHEMBL9218509 0.63 ALDH1A1 (0.52) ALDH1A1POLBHPGDKMT2AMEN1
SCHEMBL5507494 0.63 ALDH1A1 (0.52) ALDH1A1POLBHPGDKMT2AMEN1
SCHEMBL14128135 0.62 SMN1; SMN2 (0.36) ALDH1A1POLBKMT2AMEN1GAA
SCHEMBL14205089 0.58 GAA (0.58) ALDH1A1POLBHPGDKMT2AMEN1
SCHEMBL8505604 0.58 GAA (0.58) ALDH1A1POLBHPGDKMT2AMEN1
SCHEMBL9912528 0.58 ALDH1A1 (0.54) ALDH1A1HPGDKMT2AMEN1GAA
SCHEMBL13704120 0.58 GPR3 (0.60) ALDH1A1POLBHPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0682523-A1 USE OF TRICYCLIC ISOINDOLINONES AS ANTIVIRAL DRUGS, AND NEW, OPTICALLY ACTIVE ISOINDOLINONES Roche Diagnostics GmbH (DE) 1995-11-22 — — EP disclosed
WO-1992015310-A1 USE OF TRICYCLIC ISOINDOLINONES AS ANTIVIRAL DRUGS, AND NEW, OPTICALLY ACTIVE ISOINDOLINONES BOEHRINGER MANNHEIM GMBH (DE) 1992-09-17 — — WO disclosed
Send feedback