SCHEMBL9409372

SCHEMBL9409372

CCOC(=O)c1c(I)[nH]c(I)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
ALDH1A1 P00352 8/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
PDE4D Q08499 1/20 0.46
MAPT P10636 4/20 0.45
KDM4E B2RXH2 3/20 0.45
GLA P06280 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL3515050 0.87 HPGD (0.66) HPGDALDH1A1MAPK1KMT2APOLB
SCHEMBL25299252 0.81 ALDH1A1 (0.60) HPGDALDH1A1MAPK1KMT2APOLB
SCHEMBL9397467 0.74 ALDH1A1 (0.58) HPGDALDH1A1MAPK1KMT2APOLB
SCHEMBL10444735 0.74 ALDH1A1 (0.58) HPGDALDH1A1MAPK1KMT2APOLB
SCHEMBL11008658 0.73 ALDH1A1 (0.62) HPGDALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL9423229 0.73 CYP1A2 (0.56) HPGDALDH1A1MAPK1KMT2APOLB
SCHEMBL68410 0.73 SMN1; SMN2 (0.71) HPGDALDH1A1MAPK1KMT2APOLB
SCHEMBL11652842 0.72 HPGD (0.72) HPGDALDH1A1MAPK1KMT2APOLB
SCHEMBL17965819 0.72 KMT2A (0.59) HPGDALDH1A1MAPK1KMT2APOLB
SCHEMBL16099449 0.72 PDE4D (0.73) HPGDALDH1A1MAPK1KMT2APOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6298729-A None JP disclosed
JP-H06298729-A PRODUCTION OF PYRROLECARBOXYLIC ACID DERIVATIVE NIPPON SODA CO LTD 1994-10-25 JP disclosed