SCHEMBL9475669

SCHEMBL9475669

CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C#N)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.60
POLB P06746 3/20 0.60
TUBB4A P04350 1/20 0.60
TUBB P07437 1/20 0.60
TUBA3C P0DPH7 1/20 0.60
TUBA1B P68363 1/20 0.60
TUBA4A P68366 1/20 0.60
TUBB4B P68371 1/20 0.60
TUBB3 Q13509 1/20 0.60
TUBB2A Q13885 1/20 0.60
TUBB8 Q3ZCM7 1/20 0.60
TUBA3E Q6PEY2 1/20 0.60
TUBA1A Q71U36 1/20 0.60
SLC47A1 Q96FL8 1/20 0.60
TUBA1C Q9BQE3 1/20 0.60
TUBB6 Q9BUF5 1/20 0.60
TUBB2B Q9BVA1 1/20 0.60
TUBB1 Q9H4B7 1/20 0.60
RCE1 Q9Y256 1/20 0.60
ADRA2B P18089 1/20 0.59

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
SCHEMBL9477423 0.91 ALDH1A1 (0.56) KDM4EPOLBTUBB4ATUBBTUBA3C
SCHEMBL8803025 0.90 KDM4E (0.59) KDM4EPOLBTUBB4ATUBBTUBA3C
SCHEMBL9474713 0.90 ALDH1A1 (0.55) KDM4EPOLBTUBB4ATUBBTUBA3C
SCHEMBL9473967 0.90 KDM4E (0.62) KDM4EPOLBTUBB4ATUBBTUBA3C
SCHEMBL9474947 0.89 TOP2A (0.61) KDM4EPOLBALDH1A1HPGDHSD17B10
SCHEMBL9790144 0.89 ALDH1A1 (0.54) KDM4EPOLBTUBB4ATUBBTUBA3C
SCHEMBL9473926 0.89 ALDH1A1 (0.54) KDM4EPOLBTUBB4ATUBBTUBA3C
SCHEMBL7821381 0.88 KDM4E (0.69) KDM4EPOLBTUBB4ATUBBTUBA3C
SCHEMBL10695164 0.88 KDM4E (0.47) KDM4EPOLBTUBB4ATUBBTUBA3C
Hydrochloric Acid SCHEMBL10400523 0.87 KDM4E (0.67) KDM4EPOLBTUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5190955-A Bactericides, effective against antibiotic resistant germs BAYER AKTIENGESELLSCHAFT (DE) 1993-03-02 US disclosed
US-5051418-A Antibacterial 8-cyano-1-cyclopropyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1991-09-24 US disclosed
US-4908366-A Bactericides BAYER AKTIENGESELLSCHAFT (DE) 1990-03-13 US disclosed