SCHEMBL8628036

SCHEMBL8628036

Nc1ccc2cc3c(N)cccc3nc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.70
KDM4E B2RXH2 5/20 0.70
LMNA P02545 4/20 0.70
ALDH1A1 P00352 4/20 0.70
POLB P06746 4/20 0.70
NPC1 O15118 2/20 0.70
GLA P06280 2/20 0.70
HPGD P15428 2/20 0.70
RAB9A P51151 2/20 0.70
GAA P10253 1/20 0.70
PTBP1 P26599 1/20 0.70
RCE1 Q9Y256 1/20 0.70
HTR3A P46098 1/20 0.61
MEN1 O00255 3/20 0.61
CHRM2 P08172 2/20 0.61
ADRA2A P08913 2/20 0.61
ADORA3 P0DMS8 2/20 0.61
MAOA P21397 2/20 0.61
DRD1 P21728 2/20 0.61
ACHE P22303 2/20 0.61

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
Hydrochloric Acid SCHEMBL28888962 0.98 KMT2A (0.68) KMT2AKDM4ELMNAALDH1A1POLB
Proflavine SCHEMBL11072089 0.93 KMT2A (0.77) KMT2AKDM4ELMNAALDH1A1POLB
SCHEMBL1782937 0.85 KDM4E (0.70) KMT2AKDM4ELMNAALDH1A1POLB
Hydrochloric Acid SCHEMBL16736493 0.84 KDM4E (0.68) KMT2AKDM4ELMNAALDH1A1POLB
SCHEMBL29863459 0.82 ALDH1A1 (1.00) KMT2AKDM4ELMNAALDH1A1POLB
SCHEMBL167452 0.82 ALDH1A1 (1.00) KMT2AKDM4ELMNAALDH1A1POLB
SCHEMBL28998075 0.82 KMT2A (0.66) KMT2AKDM4ELMNAALDH1A1POLB
SCHEMBL28998079 0.82 KMT2A (0.66) KMT2AKDM4ELMNAALDH1A1POLB
SCHEMBL28998067 0.82 KMT2A (0.66) KMT2AKDM4ELMNAALDH1A1POLB
Hydrochloric Acid SCHEMBL590693 0.81 ALDH1A1 (0.96) KMT2AKDM4ELMNAALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0614915-B1 Polymer scale preventive agent SHINETSU CHEMICAL CO (JP) 1998-06-24 EP claimed
US-5420214-A Process to prevent scale adhesion using condensation product of a diamino heterocyclic and a quinone SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-05-30 US claimed
EP-0614915-A1 Polymer scale preventive agent Shin-Etsu Chemical Co., Ltd. (JP) 1994-09-14 EP claimed
EP-0614915-B1 Polymer scale preventive agent SHINETSU CHEMICAL CO (JP) 1998-06-24 EP disclosed
US-5420214-A Process to prevent scale adhesion using condensation product of a diamino heterocyclic and a quinone SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-05-30 US disclosed
EP-0614915-A1 Polymer scale preventive agent Shin-Etsu Chemical Co., Ltd. (JP) 1994-09-14 EP disclosed
US-4462993-A REACTION WITH A SUGAR IN PRESENCE OF ACID CATALYST BIOGAL GYOGYSZERGYAR (HU) 1984-07-31 US disclosed