SCHEMBL9807499

SCHEMBL9807499

CCCCCCN(CCCO)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.41
CNR2 P34972 6/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
MGLL Q99685 1/20 0.37

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
SCHEMBL5460996 0.91 LMNA (0.43) CNR2LMNAHDAC3HDAC1HDAC2
SCHEMBL15065449 0.91 LMNA (0.43) CNR2LMNAHDAC3HDAC1HDAC2
SCHEMBL10340840 0.91 LMNA (0.43) CNR2LMNAHDAC3HDAC1HDAC2
SCHEMBL15871096 0.89 CYP1A2 (0.42) CNR2LMNAALDH1A1MEN1KMT2A
SCHEMBL9807501 0.88 LSS (0.39) LSSALDH1A1MEN1KMT2AHDAC1
SCHEMBL9807489 0.88 LSS (0.38) LSSALDH1A1MEN1KMT2AHDAC3
SCHEMBL8167313 0.85 ALDH1A1 (0.42) LSSCNR2LMNAALDH1A1MEN1
SCHEMBL8686089 0.84 ALDH1A1 (0.44) LSSLMNAALDH1A1MEN1KMT2A
SCHEMBL1275299 0.84 EGFR (0.44) CNR2LMNAALDH1A1MEN1KMT2A
SCHEMBL5058728 0.82 INSR (0.48) LMNAALDH1A1MEN1KMT2A

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
EP-0427815-A1 HEMICYANINE MAIN-CHAIN POLYMERS MERCK PATENT GmbH (DE) 1991-05-22 EP disclosed
WO-1990013055-A1 HEMICYANINE MAIN-CHAIN POLYMERS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-11-01 WO disclosed