SCHEMBL5708442

SCHEMBL5708442

BC(=O)Cc1cc(I)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
GPR35 Q9HC97 4/20 0.40
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TTR P02766 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
PMP22 Q01453 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL30448708 0.86 THRA (0.51) MEN1KMT2ALMNAHTTGPR35
SCHEMBL378767 0.86 THRA (0.51) MEN1KMT2ALMNAHTTGPR35
SCHEMBL6647574 0.81 HSP90AB1 (0.49) MEN1KMT2ALMNAHTTGPR35
SCHEMBL7673210 0.76 MEN1 (0.39) MEN1KMT2ALMNAHTTGPR35
SCHEMBL1258900 0.76 MEN1 (0.44) MEN1KMT2ALMNAHTTGPR35
SCHEMBL11083679 0.76 MEN1 (0.44) MEN1KMT2ALMNAHTTGPR35
SCHEMBL5879457 0.74 ESR1 (0.39) MEN1KMT2ALMNAHTTGPR35
SCHEMBL5708437 0.74 CRHBP (0.37) MEN1KMT2ALMNAHTTGPR35
SCHEMBL4036461 0.73 GPR35 (0.52) MEN1KMT2AGPR35MAPTKDM4E
SCHEMBL1530400 0.72 MEN1 (0.55) MEN1KMT2ALMNAHTTGPR35

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994721-B1 NERVE GROWTH FACTOR AS A VACCINE ADJUVANT PROTECHTION UNLTD INC (US) 2006-11-29 EP disclosed
EP-0994721-A4 NERVE GROWTH FACTOR AS A VACCINE ADJUVANT PROTECHTION UNLTD INC (US) 2003-08-27 EP disclosed
US-6572866-B1 Nerve growth factor as a vaccine adjuvant PROTECHTION UNLIMITED, INC. 2003-06-03 US disclosed
US-20020052313-A1 Nerve growth factor as a vaccine adjuvant TORCIA MARIA (IT) 2002-05-02 US disclosed
EP-0994721-A1 NERVE GROWTH FACTOR AS A VACCINE ADJUVANT Protechtion Unlimited, Inc. (US) 2000-04-26 EP disclosed
WO-1998048832-A1 NERVE GROWTH FACTOR AS A VACCINE ADJUVANT PROTECHTION UNLIMITED, INC. (US) 1998-11-05 WO disclosed