SCHEMBL11740591

SCHEMBL11740591

O=C(O)c1ccc2ccncc2c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 4/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KDM6B O15054 1/20 0.44
▸ KDM4A O75164 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ KDM4D Q6B0I6 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CSNK2A2 P19784 4/20 0.43
▸ CSNK2B P67870 4/20 0.43
▸ HIPK2 Q9H2X6 1/20 0.42
▸ WDR5 P61964 1/20 0.41
▸ IMPDH2 P12268 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ LDHA P00338 1/20 0.40
▸ TSHR P16473 1/20 0.39

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
SCHEMBL27867069 0.81 KDM4C (0.46) KDM4CKDM4EMEN1KDM6BKDM4A
SCHEMBL11735065 0.79 KDM4C (0.53) KDM4CKDM4EMEN1KDM6BKDM4A
Hydrochloric Acid SCHEMBL27341310 0.78 KDM4C (0.51) KDM4CKDM4EMEN1KDM6BKDM4A
SCHEMBL11740499 0.76 DPP4 (0.44) KDM4CKDM4EMEN1KDM6BKDM4A
SCHEMBL2223329 0.75 NR4A1 (0.60) KDM4CKDM4EMEN1KDM6BKDM4A
SCHEMBL31522172 0.75 NR4A1 (0.60) KDM4CKDM4EMEN1KDM6BKDM4A
SCHEMBL11476815 0.74 IMPDH2 (0.35) KDM4EALDH1A1MAPTHIPK2IMPDH2
SCHEMBL1193526 0.74 WDR5 (0.66) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL11478088 0.74 EP300 (0.44) KDM4EHIPK2IMPDH2TNFCLK1
SCHEMBL30771576 0.74 NR4A1 (0.58) KDM4CKDM4EMEN1KDM6BKDM4A

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
US-4062961-A SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINES SMITHKLINE CORPORATION (US) 1977-12-13 — — US disclosed
US-3988339-A 7 OR 8-SUBSTITUTED 1,2,3,4-TETRAHYDRO-ISOQUINOLINE SMITHKLINE CORPORATION (US) 1976-10-26 — — US disclosed
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