SCHEMBL8893378

SCHEMBL8893378

Brc1cccnc1-c1cccnn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.36
KDM4E B2RXH2 3/20 0.34
LMNA P02545 2/20 0.34
BLM P54132 2/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
METAP1 P53582 1/20 0.34
HIF1A Q16665 1/20 0.34
DOHH Q9BU89 1/20 0.34
P4HTM Q9NXG6 1/20 0.34
TP53 P04637 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL8892520 0.80 TRIM24 (0.34) CDC25BKDM4ELMNABLMCYP1A2
SCHEMBL4612674 0.79 KDM4E (0.54) KDM4ELMNABLMCYP1A2POLB
SCHEMBL30189385 0.79 KDM4E (0.54) KDM4ELMNABLMCYP1A2POLB
SCHEMBL29666462 0.78 CDC25B (0.46) CDC25BKDM4EBLMCYP1A2TP53
SCHEMBL7772699 0.78 CDC25B (0.46) CDC25BKDM4EBLMCYP1A2TP53
SCHEMBL8893831 0.73 LMNA (0.48) KDM4ELMNATP53NPC1RAB9A
Pyridine SCHEMBL28835501 0.73 CYP2A6 (0.47) KDM4ELMNABLMCYP1A2POLB
SCHEMBL1456807 0.72 GOT1 (0.46) KDM4ELMNABLMCYP1A2POLB
SCHEMBL29442588 0.72 GOT1 (0.46) KDM4ELMNABLMCYP1A2POLB
SCHEMBL30792004 0.72 GOT1 (0.46) KDM4ELMNABLMCYP1A2POLB

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-5626791-A FERROELECTRIC LIQUID CRYSTALS HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-06 US disclosed