SCHEMBL9749281

SCHEMBL9749281

CN1C[C@@H]2C[C@H]1CN2c1c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(F)cc3)c2c1F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 9/20 0.48
ALDH1A1 P00352 7/20 0.48
POLB P06746 1/20 0.48
HSP90AA1 P07900 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PIM1 P11309 2/20 0.46
HPGD P15428 5/20 0.45
HSD17B10 Q99714 5/20 0.45
TOP2A P11388 4/20 0.42
TOP2B Q02880 2/20 0.42
TOP1 P11387 2/20 0.41
CYP2C19 P33261 1/20 0.40
ADRA2B P18089 1/20 0.40
MAPK1 P28482 1/20 0.40
PMP22 Q01453 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL9750330 0.84 KDM4E (0.46) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL9748366 0.84 LMNA (0.66) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL9749223 0.84 LMNA (0.66) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL9376194 0.83 TOP2A (0.56) LMNAMEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9837318 0.82 TOP2A (0.55) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL9838719 0.82 KDM4E (0.59) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL9750360 0.82 EPHA2 (0.54) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL9750369 0.82 EPHA2 (0.54) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL9146445 0.81 PIM1 (0.49) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL9146453 0.81 PIM1 (0.49) LMNAMEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091383-A SUBSTITUTED BRIDGED DIAZABICYCLOALKYL QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1992-02-25 US disclosed