SCHEMBL8523901

SCHEMBL8523901

Oc1cccc(Cc2ccc(Cl)nn2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
ENPP2 Q13822 1/20 0.43
HTR1B P28222 1/20 0.42
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
DHFR P00374 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL29442868 0.83 ALDH1A1 (0.68) ALDH1A1TAAR1CYP3A4KMT2AMAPT
SCHEMBL21384161 0.83 ALDH1A1 (0.68) ALDH1A1TAAR1CYP3A4KMT2AMAPT
SCHEMBL21384092 0.80 ALDH1A1 (0.64) ALDH1A1TAAR1KMT2AMAPT
SCHEMBL29442786 0.80 ALDH1A1 (0.64) ALDH1A1TAAR1KMT2AMAPT
SCHEMBL7124257 0.78 ALDH1A1 (1.00) ALDH1A1KMT2AMAPTTSHR
SCHEMBL21383993 0.74 ALDH1A1 (0.59) ALDH1A1TAAR1CYP3A4MAPK1TSHR
SCHEMBL29442874 0.74 ALDH1A1 (0.59) ALDH1A1TAAR1CYP3A4MAPK1TSHR
SCHEMBL70267 0.73 ENPP2 (0.65) ALDH1A1ENPP2HTR1BDRD2DRD1
SCHEMBL30979264 0.73 ENPP2 (0.65) ALDH1A1ENPP2HTR1BDRD2DRD1
SCHEMBL21384002 0.70 ALDH1A1 (0.54) ALDH1A1CYP3A4KDM4ELMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0835104-A4 USE OF STAT 5 SH2 DOMAIN SPECIFIC COMPOUNDS TO ENHANCE ERYTHROPOIESIS SMITHKLINE BEECHAM CORP (US) 1999-10-20 EP disclosed
EP-0835104-A1 USE OF STAT 5 SH2 DOMAIN SPECIFIC COMPOUNDS TO ENHANCE ERYTHROPOIESIS SMITHKLINE BEECHAM CORPORATION (US) 1998-04-15 EP disclosed
WO-1997002024-A1 USE OF STAT 5 SH2 DOMAIN SPECIFIC COMPOUNDS TO ENHANCE ERYTHROPOIESIS SMITHKLINE BEECHAM CORPORATION (US) 1997-01-23 WO disclosed