Indacrinone

Indacrinone

SCHEMBL11409556

CC1(c2ccccc2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O.O=C1CCCC(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)NC(=O)C2CSCN2)N1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ BLM P54132 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ GRM2 Q14416 2/20 0.36
▸ NFKB1 P19838 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ GMNN O75496 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TRHR P34981 2/20 0.33
▸ HDAC3 O15379 7/20 0.31
▸ HDAC11 Q96DB2 7/20 0.31
▸ HDAC6 Q9UBN7 7/20 0.31
▸ HDAC1 Q13547 6/20 0.31
▸ HDAC2 Q92769 6/20 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
SCHEMBL7649422 0.79 TRHR (0.43) TRHRHDAC3HDAC11HDAC6HDAC1
SCHEMBL10589314 0.68 CREBBP (0.33) TRHR
Indacrinone SCHEMBL31323234 0.68 HSD17B10 (0.63) CYP3A4CYP2C9HSD17B10MEN1LMNA
Indacrinone SCHEMBL31323231 0.68 HSD17B10 (0.63) CYP3A4CYP2C9HSD17B10MEN1LMNA
SCHEMBL27504186 0.68 TRHR (0.41) TRHRHDAC3HDAC11HDAC6HDAC1
SCHEMBL1370995 0.68 TRHR (0.41) TRHRHDAC3HDAC11HDAC6HDAC1
SCHEMBL11445107 0.65 TRHR (0.47) TRHRHDAC3HDAC11HDAC6HDAC1
SCHEMBL11440014 0.65 TRHR (0.47) TRHRHDAC3HDAC11HDAC6HDAC1
SCHEMBL7775353 0.65 TRHR (0.41) TRHRHDAC3HDAC11HDAC6HDAC1
SCHEMBL11231582 0.64 TRHR (0.41) TRHRHDAC3HDAC11HDAC6HDAC1

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
EP-0036145-A1 An orally administered drug form comprising a polar bioactive agent and an adjuvant INTERx RESEARCH CORPORATION (US) 1981-09-23 — — EP claimed
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