SCHEMBL4373967

SCHEMBL4373967

CNc1ccc(Br)cc1C(=O)Nc1cc2c(cc1O)N(C(C)=O)C(c1ccccc1C)(c1ccccc1C)CC2c1ccccc1C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
MAPT P10636 4/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 3/20 0.32
RXFP1 Q9HBX9 1/20 0.32
SORT1 Q99523 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RCE1 Q9Y256 1/20 0.32
THRB P10828 2/20 0.31
PKM P14618 1/20 0.31
KCNMA1 Q12791 1/20 0.31
FSHR P23945 1/20 0.30
AKR1C4 P17516 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
AKR1C1 Q04828 1/20 0.30
TP53 P04637 2/20 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
SCHEMBL4373972 0.73 MAPT (0.36) TSHRMAPTALDH1A1NPC1RAB9A
SCHEMBL3527025 0.71 FSHR (0.56) TSHRFSHR
SCHEMBL3524786 0.63 MAPT (0.42) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL1322915 0.63 FSHR (0.69) TSHRFSHR
SCHEMBL1307640 0.59 ALDH1A1 (0.60) TSHRMAPTALDH1A1NPC1RAB9A
SCHEMBL3525924 0.58 GAA (0.34) TSHRMAPTALDH1A1NPC1RAB9A
SCHEMBL31642632 0.57 MAPT (0.72) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL28530907 0.56 ALDH1A1 (0.51) MAPTALDH1A1RAB9AKDM4ESMN1; SMN2
SCHEMBL1323012 0.56 APEX1 (0.58) MAPTALDH1A1KDM4EAKR1C4AKR1C3
SCHEMBL29978583 0.55 MAPT (0.70) TSHRMAPTRAB9AKDM4EPKM

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-1578726-B1 TETRAHYDROQUINOLINE DERIVATIVES ORGANON NV (NL) 2009-02-25 EP disclosed