SCHEMBL3630367

SCHEMBL3630367

CCCCCc1cc(C(N)=O)ccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
LMNA P02545 1/20 0.58
CYP3A4 P08684 1/20 0.58
TSHR P16473 1/20 0.58
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
KDM5B Q9UGL1 5/20 0.46
KDM5A P29375 4/20 0.46
KDM4C Q9H3R0 3/20 0.46
KDM5C P41229 2/20 0.46
KDM5D Q9BY66 1/20 0.46
MAPK1 P28482 2/20 0.42
MEN1 O00255 1/20 0.42
APAF1 O14727 1/20 0.42
RGS12 O14924 1/20 0.42
HSP90AA1 P07900 1/20 0.42
KMT2A Q03164 1/20 0.42
MBOAT4 Q96T53 1/20 0.42
LNPEP Q9UIQ6 1/20 0.42
NPC1 O15118 2/20 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
SCHEMBL29038570 0.98 LMNA (0.56) KDM4ELMNACYP3A4TSHRCYP1A2
SCHEMBL29038561 0.98 LMNA (0.56) KDM4ELMNACYP3A4TSHRCYP1A2
SCHEMBL3634347 0.95 KDM4E (0.59) KDM4ELMNACYP3A4TSHRCYP1A2
SCHEMBL17873933 0.89 KDM4E (0.73) KDM4ELMNACYP3A4TSHRCYP1A2
SCHEMBL28092824 0.86 KDM5A (0.58) KDM4ELMNACYP3A4TSHRKDM5B
SCHEMBL2405138 0.85 KDM4E (0.51) KDM4ELMNACYP3A4TSHRCYP1A2
SCHEMBL31313484 0.84 KDM5A (0.56) KDM4ELMNACYP3A4TSHRKDM5B
SCHEMBL3122441 0.84 KDM5A (0.56) KDM4ELMNACYP3A4TSHRKDM5B
SCHEMBL31313418 0.84 KDM5A (0.56) KDM4ELMNACYP3A4TSHRKDM5B
SCHEMBL29184940 0.84 KDM5A (0.56) KDM4ELMNACYP3A4TSHRKDM5B

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-7838676-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2010-11-23 US disclosed