SCHEMBL3232481

SCHEMBL3232481

CC(C)C(N)c1nc2cc(Br)ccc2n1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ CFTR P13569 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ GALR3 O60755 1/20 0.43
▸ NR2F2 P24468 1/20 0.43
▸ GNRHR P30968 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ TNF P01375 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ KIF11 P52732 1/20 0.40

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
SCHEMBL13494344 1.00 ALOX5AP (0.48) ALOX5APMEN1KMT2ATDP1CFTR
SCHEMBL12391809 0.86 TSHR (0.52) ALOX5APMEN1KMT2ATDP1ALDH1A1
SCHEMBL1038904 0.86 TSHR (0.52) ALOX5APMEN1KMT2ATDP1ALDH1A1
SCHEMBL3235521 0.84 MEN1 (0.61) ALOX5APMEN1KMT2AALDH1A1TSHR
SCHEMBL3494747 0.84 MEN1 (0.61) ALOX5APMEN1KMT2AALDH1A1TSHR
SCHEMBL13941834 0.77 TP53 (0.68) ALOX5APMEN1KMT2AALDH1A1GALR3
SCHEMBL13941829 0.77 TP53 (0.68) ALOX5APMEN1KMT2AALDH1A1GALR3
SCHEMBL13942115 0.76 TSHR (0.74) ALOX5APMEN1KMT2AALDH1A1TSHR
SCHEMBL13942117 0.75 ALOX5AP (0.65) ALOX5APMEN1KMT2AHTTTSHR
SCHEMBL1043674 0.74 GNRHR (0.42) ALOX5APGNRHRPPARGHDAC1HDAC6

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-7662581-B1 Eg5 co-crystals NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-02-16 — — US disclosed
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