SCHEMBL20259682

SCHEMBL20259682

Cc1ccc(CCn2c(C#N)cc3c(C)c(C=O)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.38
HTR6 P50406 7/20 0.38
ADRA2A P08913 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR7 P34969 2/20 0.38
ADRA1A P35348 2/20 0.38
MAPT P10636 2/20 0.36
PDE9A O76083 1/20 0.33
PDE1C Q14123 1/20 0.33
P2RX4 Q99571 1/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 2/20 0.33
DRD2 P14416 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL17595789 0.87 LMNA (0.43) MAPTP2RX4MEN1KMT2APOLB
SCHEMBL30406055 0.84 ALDH1A1 (0.42) MAPTRAB9AKDM4EMEN1TSHR
SCHEMBL17596607 0.83 GAA (0.37) MAPTRAB9AKDM4EMEN1KMT2A
SCHEMBL20259606 0.82 HRH1 (0.32) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL17596379 0.82 LMNA (0.33) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL25422550 0.80 RAB9A (0.36) MAPTRAB9AMEN1TSHRPOLB
SCHEMBL19300387 0.79
SCHEMBL19300239 0.77 PTGER4 (0.33) RAB9AMEN1KMT2A
SCHEMBL19687746 0.77 CYP1A2 (0.34) RAB9AMEN1KMT2A
SCHEMBL19687618 0.77 RAB9A (0.32) RAB9AKDM4EMEN1

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-2018106818-A1 METHODS OF PROMOTING BETA CELL PROLIFERATION KURA ONCOLOGY, INC. (US) 2018-06-14 WO disclosed