SCHEMBL31132558

SCHEMBL31132558

CC(Br)C(=O)Nc1ccc(Oc2ccc(F)c(F)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.42
▸ CARM1 Q86X55 1/20 0.42
▸ PRMT6 Q96LA8 1/20 0.42
▸ TEK Q02763 1/20 0.42
▸ FFAR2 O15552 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SLC1A3 P43003 1/20 0.40
▸ SLC1A2 P43004 1/20 0.40
▸ SLC1A1 P43005 1/20 0.40
▸ CDK8 P49336 2/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ MAPK13 O15264 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL24932119 0.90 ALDH1A1 (0.49) IDO1CARM1PRMT6TEKFFAR2
SCHEMBL27211133 0.87 IDO1 (0.41) IDO1FFAR2MAPTALDH1A1TDP1
SCHEMBL24298066 0.86 FFAR2 (0.45) FFAR2ALDH1A1LMNACDK8RAB9A
SCHEMBL31132482 0.86 CARM1 (0.43) IDO1CARM1PRMT6FFAR2TP53
SCHEMBL27210967 0.84 ALDH1A1 (0.40) IDO1FFAR2MAPTALDH1A1TDP1
SCHEMBL31132625 0.84 NPC1 (0.53) FFAR2MAPTALDH1A1LMNARAB9A
SCHEMBL27211481 0.83 FFAR2 (0.39) IDO1TEKFFAR2MAPTALDH1A1
SCHEMBL29564448 0.83 CYP3A4 (0.53) —
SCHEMBL27211265 0.83 CYP3A4 (0.53) —
SCHEMBL24931470 0.83 ABL1 (0.44) CARM1PRMT6TEKSLC1A3SLC1A2

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-4704830-A2 MRGPRX2 INHIBITORS AND METHODS OF USE THEREOF Septerna, Inc. (US) 2026-03-11 — — EP disclosed
WO-2024226914-A2 MRGPRX2 ANTAGONISTS AND METHODS OF USE THEREOF SEPTERNA, INC. (US) 2024-10-31 — — WO disclosed
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