SCHEMBL20195479

SCHEMBL20195479

Cc1ccc(C)c(OCc2c(Cl)cccc2C(=O)Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BDKRB2 P30411 1/20 0.38
CYP3A4 P08684 2/20 0.37
CD38 P28907 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
TP53 P04637 1/20 0.35
MCL1 Q07820 1/20 0.35

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
SCHEMBL20195623 0.90 MCL1 (0.42) KMT2ATDP1ALDH1A1ATML3MBTL1
SCHEMBL20195627 0.84 ALDH1A1 (0.48) KMT2ATDP1ALDH1A1ATML3MBTL1
SCHEMBL20195657 0.83 P2RX7 (0.36) CYP3A4CD38
SCHEMBL20195491 0.82 SSTR4 (0.40)
SCHEMBL20195624 0.82 GABRA5 (0.43) KMT2ATDP1ALDH1A1ATML3MBTL1
SCHEMBL20195594 0.79 BDKRB2 (0.43) KMT2AALDH1A1BDKRB2RAB9ASMN1; SMN2
SCHEMBL20195579 0.77 LMNA (0.44) KMT2ATDP1ALDH1A1BDKRB2NPC1
SCHEMBL20195405 0.76 NPSR1 (0.34) BDKRB2CYP3A4CD38NPC1RAB9A
SCHEMBL16385606 0.76 PTGDR2 (0.50) SGMS2THRBSMN1; SMN2
SCHEMBL27478031 0.76 MRGPRX4 (0.45) KMT2ATDP1ALDH1A1L3MBTL1RAB9A

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
EP-3029035-B1 TETRAZOLINONE COMPOUND, AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-05-30 EP disclosed