SCHEMBL11780378

SCHEMBL11780378

S=C(Nc1ncc[nH]1)c1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.44
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ADRA2A P08913 2/20 0.38
ADRA2C P18825 2/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
ADRA2B P18089 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
DEGS1 O15121 1/20 0.37
RPS6KA3 P51812 1/20 0.37
RPS6KA2 Q15349 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX12 P18054 1/20 0.37
SIRT2 Q8IXJ6 3/20 0.36

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
SCHEMBL11783568 0.83 HPGDS (0.58) HPGDSNPC1RAB9AKDM4EMEN1
SCHEMBL11776031 0.82 ADRA2A (0.44) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL11740433 0.76 MAPT (0.54) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL11778331 0.76 NPC1 (0.47) HPGDSNPC1RAB9AKDM4EADRA2A
SCHEMBL11779942 0.76 FFAR2 (0.50) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL11779936 0.75 SMN1; SMN2 (0.52) HPGDSNPC1RAB9AKDM4EMEN1
SCHEMBL11777321 0.75 LMNA (0.44) HPGDSKDM4EADRA2AADRA2CADRA1D
SCHEMBL11777746 0.74 HTT (0.41) NPC1RAB9AKDM4EALDH1A1SIRT2
SCHEMBL6958534 0.73 ALDH1A1 (0.45) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL11783507 0.73 MAPT (0.58) NPC1RAB9AKDM4EMEN1KMT2A

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
US-3979404-A FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1976-09-07 US disclosed