SCHEMBL9156201

SCHEMBL9156201

C=CCCCCCCCCOc1ncc(Br)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 2/20 0.41
LPAR2 Q9HBW0 1/20 0.37
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
NPC1 O15118 1/20 0.35
ADORA1 P30542 1/20 0.33
TSHR P16473 1/20 0.33
EDNRB P24530 6/20 0.33
EDNRA P25101 6/20 0.33
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC2A1 P11166 1/20 0.32
LSS P48449 2/20 0.32
TDP1 Q9NUW8 2/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL9150109 0.78 LSS (0.47) LPAR3LPAR2CDK1CCNB1CCNA2
SCHEMBL18009502 0.75 MAPK1 (0.38) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL9866752 0.74 SLC2A1 (0.33) LPAR3LPAR2CDK1CCNB1CCNA2
SCHEMBL9544988 0.74 MEN1 (0.42) LPAR3LPAR2CDK1CCNB1CCNA2
SCHEMBL9299546 0.73 L3MBTL1 (0.51) ALDH1A1L3MBTL1LSSTDP1
SCHEMBL11338748 0.73 L3MBTL1 (0.51) ALDH1A1L3MBTL1LSSTDP1
SCHEMBL29566876 0.71 ALDH1A1 (0.41) LPAR3LPAR2CDK1CCNB1CCNA2
SCHEMBL9506242 0.70 RARB (0.47) NPC1TSHRALDH1A1L3MBTL1HPGD
SCHEMBL15005037 0.70 ALDH1A1 (0.43) LPAR3LPAR2CDK1CCNB1CCNA2
SCHEMBL17003487 0.69 EDNRA (0.37) EDNRBEDNRAALDH1A1

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-5443754-A Pyridylpyrimidines, a process for their preparation and their use in liquid-crystalline mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-22 US disclosed