SCHEMBL9840899

SCHEMBL9840899

COc1cc(-c2ccccc2)c(I)cc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
PGR P06401 1/20 0.41
HK2 P52789 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PKM P14618 1/20 0.41
ACACA Q13085 1/20 0.41
IDO1 P14902 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
SCHEMBL24049723 0.81 PGR (0.56) KDM4ELMNAMAPTALDH1A1PGR
SCHEMBL14027797 0.79 PGR (0.54) KDM4EMAPTALDH1A1PGRHK2
SCHEMBL28802585 0.78 MAOA (0.52) KDM4ELMNAMAPTALDH1A1PGR
SCHEMBL8501358 0.77 PGR (0.53) KDM4ELMNAMAPTALDH1A1HTT
SCHEMBL458388 0.76 ALDH1A1 (0.45) KDM4ELMNAMAPTALDH1A1HTT
SCHEMBL4092939 0.76 KDM4E (0.47) KDM4ELMNAMAPTALDH1A1HTT
SCHEMBL17400405 0.76 MAOA (0.47) KDM4EMAPTALDH1A1HTTPGR
SCHEMBL481617 0.75 HTR2A (0.47) KDM4ELMNAMAPTALDH1A1CA12
SCHEMBL7803626 0.75 BACE1 (0.52) KDM4EMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL7194362 0.74 CYP1A1 (0.50) KDM4ELMNAMAPTALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2096553-A None JP disclosed
US-4992350-A Durable, low cost RICOH COMPANY, LTD. (JP) 1991-02-12 US disclosed
JP-H0296553-A BIPHENYL COMPOUND AND PRODUCTION THEREOF RICOH CO LTD 1990-04-09 JP disclosed