SCHEMBL9057768

SCHEMBL9057768

CCOC(=O)Oc1cn(-c2ccc(CN(C)C)cc2)c2nc(Cl)c(F)cc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.36
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.33
MPO P05164 1/20 0.33
TPO P07202 1/20 0.33
KCNH2 Q12809 1/20 0.33
TP53 P04637 1/20 0.33
GABRA2 P47869 3/20 0.32
GABRB2 P47870 3/20 0.32
MAPK14 Q16539 1/20 0.32
KMT2A Q03164 2/20 0.32
ALOX5 P09917 1/20 0.32
DYRK1A Q13627 1/20 0.32
HTT P42858 1/20 0.31
TNF P01375 1/20 0.31
ADRB2 P07550 1/20 0.31

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
SCHEMBL9056322 0.89 CSF1R (0.38) CSF1RMPOTPOKCNH2TP53
SCHEMBL8130696 0.89 GABRA2 (0.42) ALDH1A1TSHRNPC1KCNH2GABRA2
SCHEMBL10587033 0.88 GABRA2 (0.41) ALDH1A1TSHRNPC1KCNH2TP53
SCHEMBL8802989 0.84 PTGDR2 (0.34) ALDH1A1TSHRNPC1TP53GABRA2
SCHEMBL8801606 0.84 HDAC1 (0.34) ALDH1A1TSHRNPC1TP53KMT2A
SCHEMBL9056955 0.83 LMNA (0.38) CSF1RALDH1A1TSHRKMT2AHTT
SCHEMBL9056315 0.83 CSF1R (0.42) CSF1RALDH1A1MPOTPOKCNH2
SCHEMBL7103475 0.81 EPHA2 (0.42) ALDH1A1TSHRNPC1GABRA2GABRB2
SCHEMBL7823482 0.79 LMNA (0.45) ALDH1A1TSHRNPC1KMT2AHTT
SCHEMBL9058665 0.78 KMT2A (0.42) CSF1RALDH1A1KMT2A

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
WO-1996002510-A1 NOVEL 1-[4(AMINO METHYL)PHENYL] SUBSTITUTED QUINOLONE CARBOXYLIC ACIDS BAYER AKTIENGESELLSCHAFT (DE) 1996-02-01 WO disclosed