SCHEMBL21574579

SCHEMBL21574579

Cc1ccc2nc(C)c(Cc3ccccc3C(F)(F)F)c(C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.41
▸ MAOA P21397 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ AR P10275 1/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ RORC P51449 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NCOA1 Q15788 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 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
SCHEMBL21574677 0.74 PKM (0.45) MAOAELANEPKMMAPTALDH1A1
SCHEMBL21004377 0.73 PKM (0.45) MAOAELANEPKMMAPTALDH1A1
SCHEMBL20882009 0.72 IDO1 (0.44) ALDH1A1KDM4EARPOLBSMN1; SMN2
SCHEMBL21574741 0.68 KDM1A (0.44) PKMALDH1A1KDM4EPSMB5RORC
SCHEMBL14871016 0.67 KDM4E (0.52) ALDH1A1KDM4EARMEN1KMT2A
SCHEMBL24625607 0.67 SOS1 (0.41) ALDH1A1LMNAHTTTDP1
SCHEMBL10063315 0.66 ELANE (0.48) ELANEMAPTALDH1A1LMNAKDM4E
SCHEMBL16632811 0.66 RORC (0.36) TLR8TLR7ALDH1A1KDM4EAR
SCHEMBL21574658 0.65 PKM (0.58) PKMMAPTALDH1A1LMNAKDM4E
SCHEMBL18856329 0.65 PLA2G2A (0.48) TLR8MAPTALDH1A1LMNAKDM4E

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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