SCHEMBL7653367

SCHEMBL7653367

CC(=O)Nc1cccc2c1C(=O)C(=NO)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.48
CASP3 P42574 1/20 0.45
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CCNE2 O96020 7/20 0.40
CCNE1 P24864 7/20 0.40
CDK2 P24941 7/20 0.40
LMNA P02545 1/20 0.38
AHR P35869 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37

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
SCHEMBL30841636 0.80 HTT (0.40) MAOAALDH1A1HPGDHSD17B10KDM4E
SCHEMBL1612079 0.79 MAOA (0.51) MAOACASP3ALDH1A1HPGDHSD17B10
SCHEMBL30396438 0.78 NAMPT (0.33) MAOAALDH1A1NPC1RAB9ACCNE2
SCHEMBL26342491 0.78 NAMPT (0.33) MAOAALDH1A1NPC1RAB9ACCNE2
SCHEMBL26155087 0.78 NAMPT (0.33) MAOAALDH1A1NPC1RAB9ACCNE2
SCHEMBL25374354 0.78 NAMPT (0.33) MAOAALDH1A1NPC1RAB9ACCNE2
SCHEMBL30841687 0.77 SMN1; SMN2 (0.39) ALDH1A1KDM4EGAANPC1RAB9A
SCHEMBL7653044 0.77 MAOA (0.38) MAOACASP3ALDH1A1HPGDHSD17B10
SCHEMBL7658801 0.76 KMT2A (0.39) MAOACASP3ALDH1A1HPGDHSD17B10
SCHEMBL7652987 0.74 ALDH1A1 (0.36) MAOACASP3ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407115-B1 ANTICARCINOGENIC AND ANTITUMOR AGENTS; SIDE EFFECT REDUCTION, WATER SOLUBILITY DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-06-18 US disclosed
US-5834476-A DERIVATIVE OF CAMPTOTHECIN, ANTITUMOR AGENT, ANTICARCINOGENIC AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-11-10 US disclosed
US-5770605-A Method for treating leukemia with a hexa-cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-06-23 US disclosed
US-5658920-A ANTITUMOR AGENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-08-19 US disclosed
US-5637770-A Hexa-cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-10 US disclosed
EP-0495432-B1 Hexa-cyclic compound DAIICHI SEIYAKU CO (JP) 1996-05-29 EP disclosed
EP-0495432-A1 Hexa-cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-07-22 EP disclosed