SCHEMBL29045013

SCHEMBL29045013

CCCc1ccc(OP(=O)(O)O)cc1.[NaH]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.56
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
THRB P10828 1/20 0.49
SRC P12931 2/20 0.48
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
PLK1 P53350 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ALDH1A1 P00352 2/20 0.44
INPPL1 O15357 2/20 0.43
INPP5A Q14642 2/20 0.43
ENPP2 Q13822 1/20 0.42
PLA2G1B P04054 1/20 0.42
KMT2A Q03164 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
RAB9A P51151 1/20 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
SCHEMBL1100625 0.98 BLM (0.58) BLMCYP2C19SMN1; SMN2THRBSRC
SCHEMBL3259360 0.93 BLM (0.53) BLMCYP2C19SMN1; SMN2THRBSRC
SCHEMBL28050911 0.89 BLM (0.53) BLMCYP2C19SMN1; SMN2THRBSRC
SCHEMBL1100483 0.87 BLM (0.54) BLMCYP2C19SMN1; SMN2THRBSRC
SCHEMBL14783568 0.86 ENPP2 (0.61) BLMTHRBS1PR1S1PR3PLK1
SCHEMBL27976225 0.86 ENPP2 (0.61) BLMTHRBS1PR1S1PR3PLK1
SCHEMBL8858990 0.86 ENPP2 (0.61) BLMTHRBS1PR1S1PR3PLK1
SCHEMBL28710499 0.86 ENPP2 (0.61) BLMTHRBS1PR1S1PR3PLK1
SCHEMBL538742 0.86 ENPP2 (0.60) BLMTHRBS1PR1S1PR3PLK1
SCHEMBL27375427 0.85 CYP2C19 (0.70) BLMCYP2C19SMN1; SMN2SRCS1PR1

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
CN-116367842-A Application of thymidine derivative in preparing medicine 上海岸阔医药科技有限公司 2023-06-30 CN disclosed