SCHEMBL21936360

SCHEMBL21936360

CCC(CCCCNC)NC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
PAOX Q6QHF9 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
LMNA P02545 2/20 0.32
CNR1 P21554 1/20 0.32
ADRA1A P35348 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KISS1R Q969F8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ABCC3 O15438 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC6A4 P31645 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL13062152 0.92 EPHX1 (0.42) EPHX1PAOXHTR2AHRH1LMNA
SCHEMBL14525183 0.92 EPHX1 (0.42) EPHX1PAOXHTR2AHRH1LMNA
SCHEMBL3071603 0.84
SCHEMBL18756769 0.82 LMNA (0.32) EPHX1LMNACNR1ADRA1ATDP1
SCHEMBL21557 0.82 EPHX1 (0.42) EPHX1LMNA
SCHEMBL23914444 0.81 EPHX1 (0.54) EPHX1HTR2AHRH1SIGMAR1
SCHEMBL19450330 0.81 POLB (0.31)
SCHEMBL18828149 0.80 LMNA (0.42) LMNASLC6A4
SCHEMBL10700618 0.80 EPHX1 (0.46) EPHX1LMNA
SCHEMBL20840762 0.80 EPHX1 (0.46) EPHX1LMNA

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-3633380-A1 METHOD FOR PREDICTING THERAPEUTIC EFFECT OF LSD1 INHIBITOR BASED ON EXPRESSION OF INSM1 Taiho Pharmaceutical Co., Ltd. (JP) 2020-04-08 EP disclosed