SCHEMBL31056786

SCHEMBL31056786

COC(=O)c1ccc([N+](=O)[O-])c(C2OCCO2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.50
HPGD P15428 3/20 0.49
ERN1 O75460 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 5/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MYC P01106 1/20 0.43
MAX P61244 1/20 0.43
PKM P14618 1/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.42
AR P10275 1/20 0.42

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
SCHEMBL14691018 0.90 VCAM1 (0.53) VCAM1HPGDMEN1KMT2AALDH1A1
SCHEMBL27783481 0.81 MAPT (0.41) VCAM1HPGDMEN1KMT2AALDH1A1
SCHEMBL3470896 0.80 NPC1 (0.57) VCAM1HPGDMEN1KMT2AALDH1A1
SCHEMBL20835506 0.79 CA12 (0.56) HPGDERN1MEN1KMT2AALDH1A1
SCHEMBL31056715 0.78 NPC1 (0.47) HPGDMEN1KMT2AALDH1A1NPC1
SCHEMBL31056174 0.78 KDM4E (0.50) HPGDALDH1A1NPSR1PKMNPC1
SCHEMBL2476070 0.78 NPC1 (0.47) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL5734347 0.77 VCAM1 (0.68) VCAM1HPGDERN1MEN1KMT2A
SCHEMBL13734826 0.76 VCAM1 (0.44) VCAM1HPGDMEN1KMT2AALDH1A1
SCHEMBL19927553 0.76 ALDH1A1 (0.45) HPGDKMT2AALDH1A1PKMSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed