SCHEMBL11486145

SCHEMBL11486145

SCCNCCCCCCOc1ccc(I)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
ESR1 P03372 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
CHRM2 P08172 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30

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
SCHEMBL11486767 1.00 ALDH1A1 (0.35) ALDH1A1HSD17B10KDM4ELMNACYP3A4
SCHEMBL11483160 1.00 ALDH1A1 (0.35) ALDH1A1HSD17B10KDM4ELMNACYP3A4
SCHEMBL11491393 0.98 ALDH1A1 (0.33) ALDH1A1HSD17B10KDM4ELMNACYP3A4
SCHEMBL11484909 0.82 CHRM2 (0.39) ALDH1A1HSD17B10KDM4ELMNACYP3A4
SCHEMBL11486759 0.82 CHRM2 (0.39) ALDH1A1HSD17B10KDM4ELMNACYP3A4
SCHEMBL11482881 0.82 KDM4E (0.37) ALDH1A1HSD17B10KDM4ELMNADRD2
SCHEMBL11484945 0.82 KDM4E (0.37) ALDH1A1HSD17B10KDM4ELMNADRD2
SCHEMBL11486725 0.82 DRD2 (0.41) ALDH1A1HSD17B10KDM4ELMNATP53
SCHEMBL11495369 0.82 KDM4E (0.37) ALDH1A1HSD17B10KDM4ELMNADRD2
SCHEMBL11484222 0.82 KDM4E (0.37) ALDH1A1HSD17B10KDM4ELMNADRD2

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-4185152-A ANTIRADIATION AGENTS WARNER-LAMBERT COMPANY (US) 1980-01-22 US disclosed