SCHEMBL21574740

SCHEMBL21574740

Cc1nc2ccccc2c(C)c1Cc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ PLA2G2A P14555 1/20 0.49
▸ LMNA P02545 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ APP P05067 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ STAT3 P40763 1/20 0.45
▸ ADORA2A P29274 1/20 0.44
▸ GPR3 P46089 1/20 0.43
▸ TLR8 Q9NR97 2/20 0.43
▸ TP53 P04637 1/20 0.42
▸ ALKBH3 Q96Q83 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ ADRA2A P08913 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40

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
SCHEMBL6489952 0.75 GPR3 (0.53) HTTKMT2AKDM4ESMN1; SMN2POLB
SCHEMBL18856329 0.75 PLA2G2A (0.48) HTTMEN1KMT2AKDM4EPLA2G2A
SCHEMBL28579416 0.74 CYP1A2 (0.50) HTTMEN1KMT2AKDM4ELMNA
SCHEMBL9287333 0.74 NPSR1 (0.53) PLA2G2ASMN1; SMN2TLR8ALDH1A1
SCHEMBL27999098 0.74 GPR3 (0.52) HTTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL28158605 0.74 RORC (0.45) KDM4EPLA2G2ATLR8ALDH1A1ADRA2A
SCHEMBL12277345 0.73 KMT2A (0.46) MEN1KMT2AKDM4EPLA2G2ASMN1; SMN2
SCHEMBL28949590 0.73 RORC (0.49) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL21574677 0.72 PKM (0.45) MEN1KMT2AKDM4EPLA2G2ALMNA
SCHEMBL427733 0.71 GPR3 (0.57) HTTMEN1KMT2AKDM4ELMNA

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-3057951-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2019-11-20 — — EP disclosed
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