SCHEMBL9775873

SCHEMBL9775873

CN1CCN(c2c(F)cc3cc4c(=O)c(C(=O)O)cn(C5CC5)c4nc3c2F)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.52
ALDH1A1 P00352 6/20 0.50
HPGD P15428 4/20 0.50
HSD17B10 Q99714 4/20 0.50
ALB P02768 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
POLB P06746 2/20 0.49
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
SLC47A1 Q96FL8 1/20 0.49
TUBA1C Q9BQE3 1/20 0.49

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
SCHEMBL9775925 0.89 TOP2A (0.56) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9775934 0.88 KMT2A (0.46) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9527325 0.88 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL8941979 0.86 DPP4 (0.50) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL8942162 0.86 DPP4 (0.56) KDM4EALDH1A1HSD17B10POLBDPP4
SCHEMBL8942245 0.85 DPP4 (0.49) KDM4EALDH1A1HSD17B10POLBDPP4
Water SCHEMBL8942213 0.85 DPP4 (0.55) KDM4EALDH1A1HSD17B10POLBDPP4
SCHEMBL9775887 0.85 ALDH1A1 (0.62) KDM4EALDH1A1HPGDHSD17B10HRH3
SCHEMBL9776017 0.84 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL6609141 0.84 DPP4 (0.54) KDM4EALDH1A1HPGDHSD17B10DPP4

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-5004745-A Benzo[1,8]naphthyridine derivatives, their preparation and the compositions which contain them LABORATOIRE ROGER BELLON (FR) 1991-04-02 US disclosed