SCHEMBL437510

SCHEMBL437510

Cc1cc(Br)cc2c(N)cc(-c3ccccc3)nc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.52
TP53 P04637 1/20 0.52
ACHE P22303 1/20 0.51
ADORA2A P29274 3/20 0.51
ADORA1 P30542 3/20 0.51
NQO2 P16083 1/20 0.43
SLC2A1 P11166 1/20 0.41
PTGFR P43088 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
AGTR1 P30556 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
DHODH Q02127 1/20 0.38

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
SCHEMBL439581 0.79 ACHE (0.51) ACHEADORA2AADORA1SLC2A1MEN1
SCHEMBL437545 0.77 ADORA1 (0.55) ACHEADORA2AADORA1SLC2A1MEN1
SCHEMBL442077 0.76 NR4A2 (0.45) ACHENQO2MEN1KMT2AKDM4E
SCHEMBL437369 0.75 ACHE (0.67) RXFP1ACHEADORA2AADORA1SLC2A1
SCHEMBL436729 0.74 ACHE (0.60) ACHEADORA2AADORA1MEN1KMT2A
SCHEMBL440237 0.73 ACHE (0.59) RXFP1ACHEADORA2AADORA1SLC2A1
SCHEMBL440057 0.72 NOS2 (0.42) NQO2KDM4EALDH1A1
SCHEMBL23622861 0.71 KDM4E (0.63) ACHEADORA2AADORA1MEN1KMT2A
SCHEMBL438920 0.71 ACHE (0.70) RXFP1ACHEADORA2AADORA1SLC2A1
SCHEMBL15646642 0.70 DHODH (0.43) RXFP1TP53NQO2PTGFRALDH1A1

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-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed