SCHEMBL31353096

SCHEMBL31353096

Cc1c(C(=O)O)c2ccc(Br)cc2[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR17 Q13304 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ METAP2 P50579 1/20 0.44
▸ TUBB4A P04350 1/20 0.43
▸ TUBB P07437 1/20 0.43
▸ TUBA3C P0DPH7 1/20 0.43
▸ TUBA1B P68363 1/20 0.43
▸ TUBA4A P68366 1/20 0.43
▸ TUBB4B P68371 1/20 0.43
▸ TUBB3 Q13509 1/20 0.43
▸ TUBB2A Q13885 1/20 0.43
▸ TUBB8 Q3ZCM7 1/20 0.43
▸ TUBA3E Q6PEY2 1/20 0.43
▸ TUBA1A Q71U36 1/20 0.43
▸ TUBA1C Q9BQE3 1/20 0.43
▸ TUBB6 Q9BUF5 1/20 0.43
▸ TUBB2B Q9BVA1 1/20 0.43
▸ TUBB1 Q9H4B7 1/20 0.43
▸ EGLN1 Q9GZT9 1/20 0.41

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
SCHEMBL8793810 0.78 GPR17 (0.60) GPR17METAP2TUBB4ATUBBTUBA3C
SCHEMBL4895906 0.78 KDM4E (0.72) KDM4ETDP1CYP1A2CYP2C9CYP2C19
SCHEMBL25738484 0.76 METAP2 (0.47) KDM4EMETAP2CYP2C9CYP2C19ALDH1A1
SCHEMBL18481324 0.74 ALDH1A1 (0.50) PRNPCYP1A2CYP2C9CYP2C19PPARG
SCHEMBL31422791 0.73 GABRA1 (0.49) KDM4EALDH1A1HTT
SCHEMBL8889498 0.73 KEAP1 (0.50) KDM4ETDP1CYP2C19ALDH1A1HTT
SCHEMBL2372152 0.73 LMNA (0.51) KDM4ECYP1A2RXFP1ALDH1A1MEN1
SCHEMBL19180001 0.72 RHEB (0.43) GPR17KDM4ETDP1TUBB4ATUBB
SCHEMBL17433380 0.72 RHEB (0.43) GPR17KDM4ETDP1TUBB4ATUBB
SCHEMBL3985035 0.71 GSK3B (0.54) KDM4ETDP1PRNPCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119143752-A Aminoquinoline derivative, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-12-17 — — CN disclosed
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