SCHEMBL9044591

SCHEMBL9044591

CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)c[nH]c3c2-c2ccc(F)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ADRA2B P18089 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 6/20 0.43
HSD17B10 Q99714 5/20 0.43
ALDH1A1 P00352 5/20 0.43
ALB P02768 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
POLB P06746 2/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 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
Hydrochloric Acid SCHEMBL9057379 0.99 KDM4E (0.45) KDM4EMEN1KMT2AADRA2BMAPK1
SCHEMBL9058190 0.90 KDM4E (0.44) KDM4EMEN1KMT2ALMNAHPGD
Hydrochloric Acid SCHEMBL9045293 0.89 KDM4E (0.45) KDM4EMEN1KMT2ALMNAHPGD
Hydrochloric Acid SCHEMBL9047845 0.85 KDM4E (0.40) KDM4EMEN1KMT2AMAPK1LMNA
Hydrochloric Acid SCHEMBL9056392 0.84 KDM4E (0.51) KDM4EMEN1KMT2ALMNAHPGD
SCHEMBL9046649 0.84 ALDH1A1 (0.47) KMT2AALDH1A1POLBTOP1TOP2A
Hydrochloric Acid SCHEMBL9046844 0.83 ALDH1A1 (0.47) KMT2AALDH1A1POLBTOP1TOP2A
SCHEMBL9047376 0.83 KDM4E (0.45) KDM4EMEN1KMT2AADRA2BMAPK1
Hydrochloric Acid SCHEMBL9044858 0.82 KDM4E (0.44) KDM4EMEN1KMT2AADRA2BMAPK1
SCHEMBL9044874 0.79 CYP1A2 (0.43) KDM4EMEN1KMT2AMAPTCYP2C19

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
EP-0713487-A1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES DONG WHA PHARMACEUTICAL INDUSTRIAL CO. LTD. (KR) 1996-05-29 EP claimed
EP-0713487-A1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES DONG WHA PHARMACEUTICAL INDUSTRIAL CO. LTD. (KR) 1996-05-29 EP disclosed