SCHEMBL20195605

SCHEMBL20195605

Cc1ncccc1OCc1c(Cl)cccc1C(=O)Cl

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 4/20 0.48
TDP1 Q9NUW8 3/20 0.44
P2RX7 Q99572 1/20 0.43
AKR1C3 P42330 1/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL20195587 0.87 P2RX7 (0.43) SGMS2P2RX7AKR1C3KMT2ATP53
SCHEMBL20195641 0.86 P2RX7 (0.43) SGMS2P2RX7KMT2AALDH1A1ATM
SCHEMBL20195631 0.82 SSTR4 (0.41) SGMS2P2RX7KMT2ACYP1A2CYP2C19
SCHEMBL20195627 0.82 ALDH1A1 (0.48) SGMS2TDP1P2RX7KMT2AALDH1A1
SCHEMBL17788257 0.79 SLC22A12 (0.41) SGMS2AKR1C3ALDH1A1POLBNPSR1
SCHEMBL17788244 0.79 RAB9A (0.42) SGMS2AKR1C3NPSR1TP53HTT
SCHEMBL27478031 0.77 MRGPRX4 (0.45) TDP1KMT2AALDH1A1L3MBTL1CYP1A2
SCHEMBL16385606 0.77 PTGDR2 (0.50) SGMS2AKR1C3
SCHEMBL17788240 0.77 MRGPRX4 (0.50) KMT2AL3MBTL1POLBTP53
SCHEMBL20195560 0.76 ALDH1A1 (0.50) TDP1KMT2AALDH1A1POLB

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