SCHEMBL19786058

SCHEMBL19786058

COCc1nnc(Nc2cc(Cl)cc(CN3CCN(C(=O)c4ccccc4)CC3)c2C)o1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.44
DHODH Q02127 1/20 0.44
TP53 P04637 1/20 0.43
GRIN2B Q13224 1/20 0.42
ALDH1A1 P00352 9/20 0.41
KDM4E B2RXH2 7/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 7/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 2/20 0.39
MAPK1 P28482 1/20 0.39
FABP6 P51161 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
SCHEMBL22383727 0.90 ALDH1A1 (0.45) RORCDHODHALDH1A1KDM4EHTT
SCHEMBL19786057 0.87 PTGDR2 (0.51) RORCDHODH
SCHEMBL21354246 0.76 RORC (0.58) RORCDHODH
SCHEMBL21354327 0.76 RORC (0.43) RORCDHODH
SCHEMBL21354325 0.76 RORC (0.43) RORCDHODH
SCHEMBL19785909 0.75 PTGDR2 (0.50) RORCDHODH
SCHEMBL21354302 0.75 RORC (0.43) RORCDHODH
SCHEMBL21354245 0.74 PTGDR2 (0.50) RORCDHODH
SCHEMBL22365639 0.73 RORC (0.39) RORCDHODH
SCHEMBL21354355 0.73 PTGDR2 (0.49) RORCDHODH

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-3484880-B1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA AS (DK) 2020-09-02 EP disclosed
WO-2018011201-A1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA A/S (DK) 2018-01-18 WO disclosed