SCHEMBL29054978

SCHEMBL29054978

O=C1Nc2ccc(Br)c3c2C1NCCC3

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 1/20 0.32
▸ GRIA2 P42262 1/20 0.32
▸ GRIA3 P42263 1/20 0.32
▸ GRIA4 P48058 1/20 0.32
▸ GID4 Q8IVV7 1/20 0.32
▸ PARP10 Q53GL7 1/20 0.31
▸ PARP11 Q9NR21 1/20 0.31
▸ IL1RN P18510 1/20 0.31
▸ ERAP2 Q6P179 1/20 0.31
▸ ERAP1 Q9NZ08 1/20 0.31

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
SCHEMBL4845544 0.67 IL1RN (0.33) IL1RNERAP2ERAP1
SCHEMBL24317394 0.65 HTR2A (0.31) IL1RNERAP2ERAP1
SCHEMBL8983390 0.61 HTR2A (0.30) —
SCHEMBL13727914 0.61 GRIA1 (0.40) GRIA1GRIA2GRIA3GRIA4
SCHEMBL9816066 0.60 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4PARP10
SCHEMBL13249026 0.59 HTR2C (0.40) PARP10PARP11IL1RNERAP2ERAP1
SCHEMBL10463782 0.59 HTR2C (0.40) PARP10PARP11IL1RNERAP2ERAP1
SCHEMBL30509287 0.59 HTR2C (0.40) PARP10PARP11IL1RNERAP2ERAP1
SCHEMBL31731343 0.59 ALDH1A1 (0.39) GRIA1GRIA2GRIA3GRIA4PARP10
SCHEMBL28382169 0.58 MAPT (0.42) —

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
CN-116723839-A Tricyclic heterobifunctional compounds for degrading target proteins C4医药公司 2023-09-08 — — CN disclosed
CN-116457339-A Tricyclic compounds degrading novel substrates for medical treatment C4医药公司 2023-07-18 — — CN disclosed
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