SCHEMBL9869658

SCHEMBL9869658

NC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4F)c3c2F)C1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.69
TOP2A P11388 15/20 0.64
TOP1 P11387 3/20 0.64
TOP2B Q02880 10/20 0.64
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.58
CHRM2 P08172 1/20 0.58
CHRM1 P11229 1/20 0.58
OPRM1 P35372 1/20 0.58
OPRD1 P41143 1/20 0.58

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
SCHEMBL10767292 0.91 ALDH1A1 (0.69) KMT2ATOP2ATOP1TOP2BALDH1A1
SCHEMBL9662129 0.90 KMT2A (0.66) KMT2ATOP2ATOP1TOP2BALDH1A1
SCHEMBL9662150 0.90 KMT2A (0.66) KMT2ATOP2ATOP1TOP2BALDH1A1
SCHEMBL29080644 0.90 KDM4E (0.58) KMT2ATOP2ATOP1TOP2BALDH1A1
SCHEMBL30626277 0.90 KDM4E (0.58) KMT2ATOP2ATOP1TOP2BALDH1A1
SCHEMBL10373907 0.90 TOP2A (0.72) KMT2ATOP2ATOP1TOP2BALDH1A1
SCHEMBL9662360 0.90 KMT2A (0.63) KMT2ATOP2ATOP1TOP2BALDH1A1
SCHEMBL10442795 0.89 KMT2A (0.56) KMT2ATOP2ATOP1TOP2BALDH1A1
Hydrochloric Acid SCHEMBL9773874 0.89 TOP1 (0.66) KMT2ATOP2ATOP1TOP2B
SCHEMBL9869412 0.89 TOP2A (0.61) KMT2ATOP2ATOP1TOP2BALDH1A1

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-4981854-A BACTERICIDES, ANIMAL GROWTH REGUALTORS BAYER AKTIENGESELLSCHAFT (DE) 1991-01-01 US disclosed
US-4980353-A BACTERICIDES, ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1990-12-25 US disclosed