SCHEMBL29471013

SCHEMBL29471013

CCc1ccccc1-c1nccnc1-c1ccc(NC(=O)Cc2ccc(C(F)(F)C(C)=O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 13/20 0.46
▸ WNT3A P56704 1/20 0.44
▸ CYP2D6 P10635 1/20 0.41
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41
▸ NCSTN Q92542 1/20 0.41
▸ APH1A Q96BI3 1/20 0.41
▸ PSENEN Q9NZ42 1/20 0.41
▸ RET P07949 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KCNJ5 P48544 1/20 0.40
▸ KCNJ3 P48549 1/20 0.40
▸ TRPV1 Q8NER1 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
SCHEMBL19205627 1.00 RORC (0.46) RORCWNT3ACYP2D6PSEN1PSEN2
SCHEMBL22271081 0.94 RORC (0.44) RORCWNT3ACYP2D6PSEN1PSEN2
SCHEMBL21133947 0.90 RORC (0.44) RORCWNT3ACYP2D6PSEN1PSEN2
SCHEMBL26382335 0.89 RORC (0.44) RORCWNT3ARETMEN1KMT2A
SCHEMBL29470980 0.88 RORC (0.42) RORCWNT3ACYP2D6PSEN1PSEN2
SCHEMBL19205716 0.88 RORC (0.42) RORCWNT3ACYP2D6PSEN1PSEN2
SCHEMBL29470978 0.88 RORC (0.42) RORCWNT3ACYP2D6PSEN1PSEN2
SCHEMBL19205759 0.88 RORC (0.42) RORCWNT3ACYP2D6PSEN1PSEN2
SCHEMBL29471014 0.88 RORC (0.42) RORCWNT3ACYP2D6PSEN1PSEN2
SCHEMBL18448791 0.88 RORC (0.42) RORCWNT3ACYP2D6PSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116669733-A Polymorphic forms of rorgamma inhibiting compounds and methods of making the same 格兰马克专业公司 2023-08-29 — — CN disclosed
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
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