SCHEMBL2097553

SCHEMBL2097553

Cc1nnnn1Cc1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
P2RX7 Q99572 2/20 0.41
MAPK1 P28482 1/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
ESR1 P03372 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
TNIK Q9UKE5 1/20 0.38
MET P08581 1/20 0.37
MEN1 O00255 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
SCHEMBL10053484 0.85 LMNA (0.45) ALDH1A1KMT2ALMNAP2RX7MEN1
SCHEMBL3035928 0.81 LMNA (0.62) ALDH1A1KMT2AKDM4ELMNAP2RX7
SCHEMBL19732308 0.79 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4EGAAMAPT
SCHEMBL10022378 0.79 HDAC1 (0.42) ALDH1A1LMNAP2RX7HDAC6HDAC1
SCHEMBL22397865 0.79 ESR1 (0.45) ALDH1A1KMT2AKDM4EGAALMNA
SCHEMBL12143523 0.78 CYP19A1 (0.48)
SCHEMBL31272327 0.78 MAPT (0.46) ALDH1A1KMT2AMAPTLMNAPOLB
SCHEMBL26313437 0.74 NOS1 (0.55) ALDH1A1KMT2AMAPTLMNAMAPK1
SCHEMBL5906125 0.73 ADORA3 (0.45) ALDH1A1KMT2AKDM4EMAPTLMNA
SCHEMBL1186097 0.68 LMNA (0.58) ALDH1A1KMT2AGAAMAPTLMNA

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-8163439-B2 Electrolyte membranes and methods of use THE UNIVERSITY OF AKRON (US) 2012-04-24 US disclosed
US-20090297915-A1 ELECTROLYTE MEMBRANES AND METHODS OF USE THE UNIVERSITY OF AKRON (US) 2009-12-03 US disclosed