SCHEMBL8423745

SCHEMBL8423745

CCNc1nnc(NCC)c2cc3ccccc3cc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 2/20 0.47
BTK Q06187 1/20 0.42
CYP1A1 P04798 2/20 0.40
CYP1A2 P05177 2/20 0.40
PGK1 P00558 2/20 0.39
NLRP3 Q96P20 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
UTS2R Q9UKP6 1/20 0.38
APP P05067 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
ELANE P08246 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
SCHEMBL8421485 0.85 SOD1 (0.51) SOD1MEN1KMT2AUTS2RAPP
SCHEMBL8421424 0.82 SOD1 (0.56) SOD1UTS2RBCHEKDM4EELANE
Hydrochloric Acid SCHEMBL8421903 0.80 SOD1 (0.55) SOD1UTS2RBCHEKDM4EELANE
SCHEMBL8421243 0.79 MCL1 (0.43) SOD1BTKCYP1A2PGK1KDM4E
SCHEMBL8425445 0.79 PGK1 (0.47) PGK1KDM4E
SCHEMBL9207410 0.78 KAT2B (0.50) SOD1
SCHEMBL8423668 0.77 SOD1 (0.49) SOD1CYP1A2KDM4E
SCHEMBL9204316 0.77 TOP2A (0.52) SOD1MEN1KMT2A
SCHEMBL8600443 0.76 KDM4E (0.61) SOD1MEN1KMT2AKDM4ENPC1
SCHEMBL9205730 0.75 MEN1 (0.46) SOD1MEN1KMT2AKDM4EADORA1

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 3 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
EP-0440787-A1 NEW COMPOUNDS OF 1,4-BIS(AMINO)BENZO(G)PHTHALAZENE CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 1991-08-14 EP disclosed