SCHEMBL7804837

SCHEMBL7804837

O=C1c2cnccc2-c2nn(CCNCCO)c3ccc(Cl)c1c23

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 13/20 0.50
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
CASP1 P29466 2/20 0.38
BLM P54132 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CASP7 P55210 1/20 0.38
CDC25B P30305 1/20 0.33
TERT O14746 1/20 0.32
P2RX7 Q99572 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL8847912 0.90 TOP2A (0.46) TOP2ATP53CYP3A4MAPTCASP1
SCHEMBL10801223 0.88 TOP2A (0.58) TOP2AMAPTCASP1CASP7
Hydrochloric Acid SCHEMBL10800107 0.87 TOP2A (0.57) TOP2AMAPTCASP1CASP7
SCHEMBL7817561 0.87 TOP2A (0.41) TOP2ATP53CYP3A4MAPTCASP1
SCHEMBL7804428 0.86 TOP2A (0.68) TOP2ATP53CYP3A4MAPTCASP1
SCHEMBL7808487 0.84 TOP2A (0.60) TOP2ATP53CYP3A4MAPTCASP1
SCHEMBL7811993 0.83 TOP2A (0.61) TOP2ATP53CYP3A4MAPTCASP1
SCHEMBL8848089 0.83 TOP2A (0.46) TOP2ATP53CYP3A4MAPTCASP1
SCHEMBL7804753 0.82 TOP2A (0.60) TOP2ATP53CYP3A4MAPTCASP1
SCHEMBL7810474 0.82 TOP2A (0.68) TOP2ATP53CYP3A4MAPTCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4958018-A REACTING A 3-HALOMETHYL-3-CEPHEM WITH A LEAD REDUCING AGENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1990-09-18 US claimed
EP-0750619-B1 HETERO-ANNULATED INDAZOLES NOVUSPHARMA SPA (IT) 2001-05-30 EP disclosed
EP-0662076-B1 2-AMINOALKYL-5-AMINOALKYLAMINO SUBSTITUTED ISOQUINOINDAZOLE-6-(2H)-ONES WITH ANTITUMOUR ACTIVITY UNIV VERMONT (US) 2001-04-11 EP disclosed
US-5604246-A HAVING POTENCY AGAINST MULTIDRUG RESISTANT TUMORS BOEHRINGER MANNHEIM ITALIA SPA (IT) 1997-02-18 US disclosed
US-5596097-A ANTITUMOR AGENTS THE UNIVERSITY OF VERMONT (US) 1997-01-21 US disclosed
EP-0750619-A1 HETERO-ANNULATED INDAZOLES BOEHRINGER MANNHEIM ITALIA S.p.A. (IT) 1997-01-02 EP disclosed
US-5519029-A ANTITUMOR AGENTS BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1996-05-21 US disclosed
WO-1995024407-A1 HETERO-ANNULATED INDAZOLES BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1995-09-14 WO disclosed
EP-0341694-B1 Method for production of 3-exomethylenecepham derivatives OTSUKA KAGAKU KK (JP) 1995-09-06 EP disclosed
EP-0662076-A1 2-AMINOALKYL-5-AMINOALKYLAMINO SUBSTITUTED ISOQUINOINDAZOLE-6-(2H)-ONES WITH ANTITUMOUR ACTIVITY THE UNIVERSITY OF VERMONT (US) 1995-07-12 EP disclosed
WO-1994006795-A1 2-AMINOALKYL-5-AMINOALKYLAMINO SUBSTITUTED ISOQUINOINDAZOLE-6-(2H)-ONES WITH ANTITUMOUR ACTIVITY THE UNIVERSITY OF VERMONT (US) 1994-03-31 WO disclosed
US-4958018-A REACTING A 3-HALOMETHYL-3-CEPHEM WITH A LEAD REDUCING AGENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1990-09-18 US disclosed