SCHEMBL30013879

SCHEMBL30013879

Fc1ccc2c(c1)c(N1CCCc3ccccc31)nc1nncn12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 5/20 0.38
ROCK1 Q13464 1/20 0.37
ALDH1A1 P00352 5/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
NUDT1 P36639 1/20 0.36
PKM P14618 1/20 0.35
EGFR P00533 2/20 0.35
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
PDGFRB P09619 2/20 0.35
TUBA3C P0DPH7 2/20 0.35
KDR P35968 2/20 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
SCHEMBL29909088 0.88 KMT2A (0.54) STAT3KMT2AMAPTROCK1ALDH1A1
SCHEMBL23576636 0.88 KMT2A (0.54) STAT3KMT2AMAPTROCK1ALDH1A1
SCHEMBL30979080 0.87 KMT2A (0.63) STAT3KMT2AMAPTROCK1ALDH1A1
SCHEMBL23601720 0.87 KMT2A (0.63) STAT3KMT2AMAPTROCK1ALDH1A1
SCHEMBL29909264 0.85 KMT2A (0.52) STAT3KMT2AMAPTROCK1ALDH1A1
SCHEMBL23577076 0.85 KMT2A (0.52) STAT3KMT2AMAPTROCK1ALDH1A1
SCHEMBL23601794 0.85 KMT2A (0.51) STAT3KMT2AMAPTROCK1ALDH1A1
SCHEMBL23601726 0.85 MAPT (0.40) STAT3KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL23576783 0.85 MAPT (0.38) STAT3KMT2AMAPTALDH1A1HPGD
SCHEMBL29909809 0.85 MAPT (0.38) STAT3KMT2AMAPTALDH1A1HPGD

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
CN-115362003-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2022-11-18 CN disclosed