SCHEMBL9423418

SCHEMBL9423418

CN(C)CCNc1c(N2Cc3ccccc3Oc3ccc(Cl)cc32)c(=O)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ CYP3A4 P08684 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ THPO P40225 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ PMP22 Q01453 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ PTGER1 P34995 8/20 0.41
▸ PTGER2 P43116 4/20 0.41
▸ HTR2A P28223 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ HRH1 P35367 2/20 0.38
▸ MAT2A P31153 1/20 0.38
▸ PIM1 P11309 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TP53 P04637 2/20 0.36

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
SCHEMBL9423793 0.81 MEN1 (0.53) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL9423257 0.80 PTGER1 (0.51) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL9393942 0.75 MEN1 (0.46) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL9394554 0.74 MAPT (0.45) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL8799893 0.73 ALDH1A1 (0.44) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL9392440 0.65 MAPT (0.42) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL9158131 0.65 MAPT (0.60) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL9190200 0.64 PTGER1 (0.71) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL8887904 0.64 PTGER1 (0.64) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL9135541 0.64 MEN1 (0.54) MEN1KMT2ACYP3A4CYP1A2CYP2D6

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-5354746-A Prostaglandin inhibitor, analgesics G. D. SEARLE & CO. (US) 1994-10-11 — — US claimed
US-5354746-A Prostaglandin inhibitor, analgesics G. D. SEARLE & CO. (US) 1994-10-11 — — US disclosed
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