SCHEMBL9448786

SCHEMBL9448786

CCOc1cccc(C(=O)C=[N+]=[N-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
HPGD P15428 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
RECQL P46063 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 4/20 0.48
NR1H4 Q96RI1 1/20 0.48
HTT P42858 1/20 0.48
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 1/20 0.47
CASP3 P42574 1/20 0.47

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
SCHEMBL9448898 0.83 ABCG2 (0.59) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL9448934 0.81 KMT2A (0.56) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL8780311 0.81 ALDH1A1 (0.57) ALDH1A1HPGDSMN1; SMN2KMT2AKDM4E
SCHEMBL11044054 0.81 SMN1; SMN2 (0.54) ALDH1A1HPGDSMN1; SMN2KMT2AKDM4E
SCHEMBL8870318 0.81 KMT2A (0.50) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL9448901 0.79 AKR1C3 (0.60) ALDH1A1SMN1; SMN2KDM4ELMNANPC1
SCHEMBL29693792 0.78 RAB9A (0.47) ALDH1A1SMN1; SMN2KMT2AKDM4EMAPT
SCHEMBL11520997 0.78 HPGD (0.50) ALDH1A1HPGDSMN1; SMN2KMT2AKDM4E
SCHEMBL5139133 0.77 HPGD (0.68) ALDH1A1HPGDSMN1; SMN2KMT2AKDM4E
SCHEMBL9449177 0.77 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0466730-B1 GEMINAL BISPHOSPHONIC ACIDS AND DERIVATIVES AS ANTI-ARTHRITIC AGENTS THE UPJOHN COMPANY (US) 1993-07-21 EP disclosed
US-5220021-A Geminal bisphosphonic acids and derivatives as anti-arthritic agents THE UPJOHN COMPANY (US) 1993-06-15 US disclosed
EP-0466730-A1 GEMINAL BISPHOSPHONIC ACIDS AND DERIVATIVES AS ANTI-ARTHRITIC AGENTS. UPJOHN CO (US) 1992-01-22 EP disclosed
WO-1990012017-A1 GEMINAL BISPHOSPHONIC ACIDS AND DERIVATIVES AS ANTI-ARTHRITIC AGENTS THE UPJOHN COMPANY (US) 1990-10-18 WO disclosed