SCHEMBL4381737

SCHEMBL4381737

Brc1ccc(Br)c(-c2nnco2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 13/20 0.47
TSHR P16473 3/20 0.47
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL17148984 0.82 NOTUM (0.59) NOTUMTSHRNPC1RAB9ATP53
SCHEMBL24819002 0.82 NOTUM (0.53) NOTUMTSHRNPC1RAB9ATP53
SCHEMBL12909241 0.82 NOTUM (0.53) NOTUMTSHRNPC1RAB9ATP53
SCHEMBL30745985 0.79 NOTUM (0.59) NOTUMTSHRNPC1RAB9ATP53
SCHEMBL30825423 0.77 NOTUM (0.61) NOTUMTSHRNPC1RAB9ATP53
SCHEMBL4221716 0.77 NOTUM (0.61) NOTUMTSHRNPC1RAB9ATP53
SCHEMBL12874086 0.75 NOTUM (0.43) NOTUMTSHRNPC1RAB9AMAPK1
SCHEMBL9961000 0.75 NPC1 (0.43) NOTUMTSHRNPC1RAB9ATP53
SCHEMBL1194538 0.72 NOTUM (0.64) NOTUMTSHRNPC1RAB9AMAPK1
SCHEMBL20360238 0.71 NOTUM (0.66) NOTUMTSHRNPC1RAB9ASMN1; SMN2

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-2025014-B1 PENTACENE POLYMERS AND THEIR USE IN ELECTRONIC DEVICES LUCENT TECHNOLOGIES INC (US) 2009-11-18 EP disclosed
US-20070257251-A1 ACENE COMPOSITIONS AND AN APPARATUS HAVING SUCH COMPOSITIONS LUCENT TECHNOLOGIES INC. (US) 2007-11-08 US disclosed