SCHEMBL7654278

SCHEMBL7654278

COC(=O)c1c(C)nc2cccc(C)c2c1NCc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CTNNB1 P35222 4/20 0.38
TCF7L2 Q9NQB0 4/20 0.38
APP P05067 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL7649849 0.84 KMT2A (0.55) MEN1KMT2ATP53MAPTSMN1; SMN2
SCHEMBL6653145 0.83 CTNNB1 (0.36) MEN1KMT2ATP53MAPTCTNNB1
SCHEMBL617925 0.82 MAPT (0.51) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL27464341 0.82 CTNNB1 (0.37) MEN1KMT2ATP53MAPTCTNNB1
SCHEMBL7554973 0.82 APP (0.39) MEN1KMT2ATP53MAPTCTNNB1
SCHEMBL27464342 0.80 SMN1; SMN2 (0.41) MEN1KMT2ASMN1; SMN2CTNNB1TCF7L2
SCHEMBL28054684 0.80 KDM4E (0.47) MEN1KMT2AMAPTAPPALDH1A1
SCHEMBL7651486 0.77 PRNP (0.50) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL7646678 0.76 KMT2A (0.61) MEN1KMT2ATP53SMN1; SMN2APP
SCHEMBL7646312 0.74 APP (0.46) MEN1KMT2ATP53MAPTSMN1; SMN2

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-6339077-B1 FOR PROPHYLAXIS OR OF GALLSTONES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-15 US disclosed