SCHEMBL3669956

SCHEMBL3669956

Cc1nc(-c2ccc(-c3ccccc3)cc2)c[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
KDM4E B2RXH2 6/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 4/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 2/20 0.41
ATM Q13315 2/20 0.41
SLC2A1 P11166 1/20 0.41
ALDH1A3 P47895 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41

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
SCHEMBL1008901 0.96 MEN1 (0.46) MEN1KMT2AKDM4EMAPTALDH1A1
Bromide SCHEMBL28138957 0.94 KMT2A (0.44) MEN1KMT2AKDM4EMAPTALDH1A1
Hydrochloric Acid SCHEMBL1307189 0.94 MEN1 (0.44) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL17983446 0.92 ENPP3 (0.36) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL13963161 0.89 MAPT (0.41) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL17066733 0.86 ENPP3 (0.46) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL8932214 0.84 NPC1 (0.49) RAB9ATSHRNPC1
Nitric Acid SCHEMBL28186561 0.84 ALDH1A1 (0.43) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL28136880 0.84 TP53 (0.41) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL8250696 0.83 METAP2 (0.44) MEN1KMT2AKDM4EMAPTALDH1A1

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-2162441-A2 1,(3,)5-SUBSTITUTED IMIDAZOLES, THEIR USE IN THE TREATMENT OF HYPERTENSION AND METHODS FOR THEIR PREPARATION Eldrug S.A. (GR) 2010-03-17 EP disclosed
WO-2008142576-A2 1,(3,)5-SUBSTITUTED IMIDAZOLES, THEIR USE IN THE TREATMENT OF HYPERTENSION AND METHODS FOR THEIR PREPARATION ELDRUG S.A. (GR) 2008-11-27 WO disclosed
EP-0652869-A1 IMIDAZOLE ETHERS HAVING A II ANTAGONIST ACTIVITY. LUSO FARMACO INST (IT) 1995-05-17 EP disclosed