SCHEMBL9048154

SCHEMBL9048154

CCOC(=O)Cn1c(=S)c2ccccc2n(Cc2ccc(Br)cc2F)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.48
RAB9A P51151 1/20 0.48
AKR1B1 P15121 3/20 0.47
AKR1B10 O60218 1/20 0.47
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
AKR1A1 P14550 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL10487846 0.89 AKR1B1 (0.57) ALDH1A1KDM4ERAB9AAKR1B1AKR1B10
SCHEMBL9046869 0.88 AKR1B1 (0.53) ALDH1A1KDM4ERAB9AAKR1B1AKR1B10
SCHEMBL9049383 0.86 AKR1B1 (0.60) ALDH1A1KDM4EAKR1B1AKR1B10HDAC1
SCHEMBL9048794 0.81 LMNA (0.62) ALDH1A1KDM4ERAB9ATDP1L3MBTL1
SCHEMBL10487913 0.81 AKR1B1 (0.64) ALDH1A1KDM4ERAB9AAKR1B1AKR1A1
SCHEMBL9046143 0.80 AKR1A1 (0.59) ALDH1A1KDM4EAKR1B1HDAC1HDAC6
SCHEMBL10487906 0.79 AKR1A1 (0.65) ALDH1A1KDM4ERAB9AAKR1B1AKR1A1
SCHEMBL9534320 0.79 MEN1 (0.60) ALDH1A1AKR1B1AKR1A1KMT2AMEN1
SCHEMBL10487925 0.78 AKR1B1 (0.61) ALDH1A1KDM4EAKR1B1AKR1B10AKR1A1
SCHEMBL10487889 0.78 AKR1B1 (0.52) ALDH1A1AKR1B1AKR1A1TDP1L3MBTL1

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-0456835-B1 QUINAZOLINE-3-ALKANOIC ACID DERIVATIVE, SALT THEREOF, AND PRODUCTION THEREOF KYORIN SEIYAKU KK (JP) 1996-05-15 EP disclosed
US-5234928-A Inhibit platelet aggregation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1993-08-10 US disclosed
EP-0456835-A1 QUINAZOLINE-3-ALKANOIC ACID DERIVATIVE, SALT THEREOF, AND PRODUCTION THEREOF KYORIN PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 EP disclosed