SCHEMBL2177009

SCHEMBL2177009

CCOC(=O)c1cccc(NCc2cccc(I)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 1/20 0.56
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 3/20 0.55
TSHR P16473 1/20 0.55
RAB9A P51151 7/20 0.54
NPC1 O15118 6/20 0.54
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 3/20 0.51
MAPK1 P28482 3/20 0.51
LMNA P02545 2/20 0.51
NAMPT P43490 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
PPARA Q07869 1/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL10106419 0.87 MAPT (0.65) SENP1KMT2AALDH1A1TSHRRAB9A
SCHEMBL5179212 0.83 THRB (0.56) SENP1KMT2AALDH1A1TSHRRAB9A
SCHEMBL27641613 0.83 SENP1 (0.57) SENP1KMT2AALDH1A1TSHRRAB9A
SCHEMBL2773071 0.81 PPARA (0.59) SENP1KMT2AALDH1A1TSHRRAB9A
SCHEMBL131839 0.81 CYP4F2 (0.56) KMT2AALDH1A1TSHRRAB9ANPC1
SCHEMBL3092388 0.80 KMT2A (0.63) KMT2AALDH1A1TSHRRAB9ANPC1
Ammonia Solution, Strong SCHEMBL27976183 0.79 CYP4F2 (0.55) KMT2AALDH1A1TSHRRAB9ANPC1
SCHEMBL5088971 0.78 MAPT (0.55) SENP1KMT2AALDH1A1TSHRRAB9A
SCHEMBL29106420 0.78 CDC25B (0.54) SENP1KMT2AALDH1A1TSHRRAB9A
SCHEMBL5180814 0.78 SENP1 (0.52) SENP1KMT2AALDH1A1TSHRRAB9A

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
WO-2011082098-A1 LYSINE AND ARGININE METHYLTRANSFERASE INHIBITORS FOR TREATING CANCER THE ROCKEFELLER UNIVERSITY (US) 2011-07-07 WO disclosed