SCHEMBL10413352

SCHEMBL10413352

C=Cc1nc2c(cc1F)c(=O)c(C(=O)OCC)cn2CC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 6/20 0.53
TSHR P16473 3/20 0.53
MEN1 O00255 3/20 0.53
MAPT P10636 3/20 0.51
THRB P10828 1/20 0.51
KDM4E B2RXH2 3/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPK1 P28482 3/20 0.48
LMNA P02545 4/20 0.47
POLB P06746 1/20 0.47
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
CYP2C9 P11712 1/20 0.46
ATP6V1B2 P21281 1/20 0.46

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
SCHEMBL10413375 0.90 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL10413973 0.87 LMNA (0.60) KMT2ASMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL10412649 0.84 ADRB2 (0.49) KMT2ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL3977245 0.84 ALDH1A1 (0.53) KMT2ASMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL10414338 0.83 KMT2A (0.48) KMT2ASMN1; SMN2ALDH1A1TSHRMAPT
SCHEMBL11286741 0.83 ALDH1A1 (0.53) KMT2ASMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL11283380 0.81 ALDH1A1 (0.51) KMT2ASMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL11346134 0.81 SMN1; SMN2 (0.53) KMT2ASMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL8941946 0.81 ALDH1A1 (0.55) KMT2ASMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL9775932 0.80 ALDH1A1 (0.54) KMT2ASMN1; SMN2ALDH1A1TSHRMEN1

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-4945160-A Preparation of certain 7-substituted quinolones WARNER-LAMBERT COMPANY (US) 1990-07-31 US disclosed