SCHEMBL8600443

SCHEMBL8600443

C=CCNc1nnc(NCC=C)c2cc3ccccc3cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.61
ALDH1A1 P00352 6/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
HPGD P15428 3/20 0.61
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
MAPT P10636 3/20 0.49
RAB9A P51151 3/20 0.49
GAA P10253 1/20 0.49
ALOX12 P18054 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HSD17B10 Q99714 3/20 0.43
SOD1 P00441 2/20 0.43
GLA P06280 1/20 0.43
TSHR P16473 1/20 0.43
NPY1R P25929 1/20 0.43
SUMO3 P55854 1/20 0.43
SUMO2 P61956 1/20 0.43
SUMO1 P63165 1/20 0.43
LMNA P02545 3/20 0.42

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
SCHEMBL9280808 0.84 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL8423745 0.76 SOD1 (0.47) KDM4EMEN1KMT2ARAB9ASOD1
SCHEMBL28058086 0.74 ALDH1A1 (0.46) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL8421485 0.73 SOD1 (0.51) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL9204316 0.72 TOP2A (0.52) MEN1KMT2AGAASOD1POLB
SCHEMBL7591023 0.70 ALDH1A1 (0.62) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL9208673 0.70 SOD1 (0.56) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL8421424 0.70 SOD1 (0.56) KDM4EALDH1A1SMN1; SMN2SOD1LMNA
SCHEMBL10865574 0.70 KMT2A (0.47) KDM4EALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL9207410 0.70 KAT2B (0.50) GAASOD1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0440787-B1 COMPOUNDS OF 1,4-BIS(AMINO)BENZO(G)PHTHALAZENE CONSEJO SUPERIOR INVESTIGACION (ES) 1999-10-13 EP disclosed
US-5719282-A PARASITICIDES; ANTICANCER AGENTS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 1998-02-17 US disclosed
US-5719282-A PARASITICIDES; ANTICANCER AGENTS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 1998-02-17 US disclosed
EP-0497809-B1 1,4-BIS(ALKYLAMINO)-2,3-DIAZA-ANTHRACENE-9,10-DIONES BOEHRINGER MANNHEIM ITALIA (IT) 1995-06-28 EP disclosed
US-5162320-A 1,4-BIS(ALKYLAMINO)-2,3-DIAZA-ANTHRACENE-9,10-DIONES BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1992-11-10 US disclosed
EP-0497809-A1 1,4-BIS(ALKYLAMINO)-2,3-DIAZA-ANTHRACENE-9,10-DIONES. BOEHRINGER MANNHEIM ITALIA (IT) 1992-08-12 EP disclosed
EP-0440787-A1 NEW COMPOUNDS OF 1,4-BIS(AMINO)BENZO(G)PHTHALAZENE CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 1991-08-14 EP disclosed
EP-0440787-A1 NEW COMPOUNDS OF 1,4-BIS(AMINO)BENZO(G)PHTHALAZENE CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 1991-08-14 EP disclosed
WO-1991006540-A1 1,4-BIS(ALKYLAMINO)-2,3-DIAZA-ANTHRACENE-9,10-DIONES BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1991-05-16 WO disclosed
WO-1990014339-A1 NEW COMPOUNDS OF 1,4-BIS(AMINO)BENZO[g]PHTHALAZENE CONSEJO SUPERIOR INVESTIGACIONES CIENTIFICAS (ES) 1990-11-29 WO disclosed