SCHEMBL29470979

SCHEMBL29470979

CCc1ccccc1-c1nccnc1-c1ccc(CC(N)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.42
▸ HTT P42858 2/20 0.40
▸ SLC9A1 P19634 1/20 0.40
▸ THRB P10828 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CA2 P00918 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PDE4B Q07343 1/20 0.37

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
SCHEMBL18448568 0.80 ALOX5AP (0.41) ALDH1A1
SCHEMBL29471016 0.80 ALOX5AP (0.41) ALDH1A1
SCHEMBL18483362 0.75 ALDH1A1 (0.38) ALDH1A1
SCHEMBL26382379 0.75 WNT3A (0.47) SMN1; SMN2NPC1RAB9A
SCHEMBL22270835 0.75 KDR (0.42) NPSR1ALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL21133947 0.74 RORC (0.44) LMNANPC1
SCHEMBL19205627 0.74 RORC (0.46) —
SCHEMBL26382734 0.74 ALDH1A1 (0.37) ALDH1A1
SCHEMBL18485956 0.73 WNT3A (0.35) ALDH1A1KDM4ELMNASMN1; SMN2NPC1
SCHEMBL30549080 0.73 IDO1 (0.45) NPSR1HTTALDH1A1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4208449-A1 POLYMORPHIC FORMS OF A RORGAMMA INHIBITING COMPOUND AND PROCESSES FOR ITS PREPARATION Glenmark Specialty S.A. (CH) 2023-07-12 — — EP claimed
WO-2022049534-A1 POLYMORPHIC FORMS OF A RORΓ INHIBITING COMPOUND AND PROCESSES FOR ITS PREPARATION GLENMARK SPECIALTY S.A. (CH) 2022-03-10 — — WO claimed
EP-4208449-A1 POLYMORPHIC FORMS OF A RORGAMMA INHIBITING COMPOUND AND PROCESSES FOR ITS PREPARATION Glenmark Specialty S.A. (CH) 2023-07-12 — — EP disclosed
WO-2022049534-A1 POLYMORPHIC FORMS OF A RORΓ INHIBITING COMPOUND AND PROCESSES FOR ITS PREPARATION GLENMARK SPECIALTY S.A. (CH) 2022-03-10 — — WO disclosed
Send feedback