SCHEMBL7232102

SCHEMBL7232102

O=[N+]([O-])c1ccc(CN2CC=CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.63
KCNJ1 P48048 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
ALDH1A1 P00352 2/20 0.61
LMNA P02545 1/20 0.61
MAPT P10636 1/20 0.61
MAOA P21397 1/20 0.60
KCNH2 Q12809 1/20 0.54
HRH3 Q9Y5N1 1/20 0.51
GBA1 P04062 1/20 0.51
NPC1 O15118 1/20 0.51
NR2F2 P24468 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL7227791 0.89 MAOA (0.74) KDM4EKCNJ1SMN1; SMN2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL8661674 0.87 MAOA (0.72) KDM4EKCNJ1SMN1; SMN2ALDH1A1LMNA
SCHEMBL2206628 0.81 KDM4E (0.73) KDM4EKCNJ1SMN1; SMN2ALDH1A1LMNA
SCHEMBL3156886 0.81 KDM4E (0.73) KDM4EKCNJ1SMN1; SMN2ALDH1A1LMNA
SCHEMBL1805498 0.80 KDM4E (0.71) KDM4EKCNJ1SMN1; SMN2ALDH1A1LMNA
SCHEMBL8329627 0.80 KDM4E (0.71) KDM4EKCNJ1SMN1; SMN2ALDH1A1LMNA
SCHEMBL3143167 0.80 KDM4E (0.71) KDM4EKCNJ1SMN1; SMN2ALDH1A1LMNA
SCHEMBL23832519 0.79 KDM4E (0.69) KDM4EKCNJ1SMN1; SMN2ALDH1A1LMNA
SCHEMBL5626457 0.79 ALDH1A1 (0.74) KDM4EKCNJ1SMN1; SMN2ALDH1A1LMNA
SCHEMBL15340821 0.79 KDM4E (0.59) KDM4EKCNJ1SMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6545035-B1 Having effect on various kinases and cycline/CDK complexes and on the proliferation of various tumour cells. BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-08 US disclosed
US-6319918-B1 FOR LYMPHOMA OR SOLID TUMORS TREATMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-20 US disclosed