SCHEMBL16653954

SCHEMBL16653954

S=C1CC=CC=C1c1n[c]ncc1-c1ccccc1SCc1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ PPARG P37231 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ NCOA2 Q15596 1/20 0.30
▸ NCOA1 Q15788 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL631738 0.70 S100A4 (0.33) —
SCHEMBL17106896 0.64 KMT2A (0.39) ALDH1A1HPGDPPARGSMN1; SMN2NPSR1
SCHEMBL7034667 0.59 POLB (0.41) POLBALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL10446539 0.58 ALDH1A1 (0.32) ALDH1A1
SCHEMBL6777717 0.58 POLB (0.59) POLBGAASMN1; SMN2
SCHEMBL8631968 0.58 POLB (0.42) POLBALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL1116173 0.57 HSD17B10 (0.49) POLBKDM4EALDH1A1LMNAGAA
SCHEMBL38090 0.57 POLB (0.41) POLBALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL6504974 0.57 POLB (0.61) POLBALDH1A1GAAHTTSMN1; SMN2
SCHEMBL16671336 0.56 POLB (0.36) POLBALDH1A1PPARGSMN1; SMN2NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057421-A1 ALKYL LINKED QUINOLINYL MODULATORS OF ROR(GAMMA)T Janssen Pharmaceutica, N.V. (BE) 2016-08-24 — — EP disclosed
WO-2015057629-A1 ALKYL LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-23 — — WO disclosed
Send feedback