SCHEMBL22791978

SCHEMBL22791978

Cc1ccc2c(c1)NCC(C)O2

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 3/20 0.58
BRD4 O60885 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 2/20 0.50
GAA P10253 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
MMP12 P39900 1/20 0.40
AKR1B1 P15121 1/20 0.38
USP2 O75604 1/20 0.37
TSHR P16473 2/20 0.35
NISCH Q9Y2I1 1/20 0.34
MEN1 O00255 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
SCHEMBL22791631 1.00 CREBBP (0.58) CREBBPBRD4SMN1; SMN2HSD17B10GAA
SCHEMBL22791448 0.86 CREBBP (0.46) CREBBPBRD4SMN1; SMN2HSD17B10GAA
SCHEMBL7345041 0.86 CREBBP (0.46) CREBBPBRD4SMN1; SMN2HSD17B10GAA
SCHEMBL22570946 0.85 BRD4 (0.45) CREBBPBRD4SMN1; SMN2HSD17B10GAA
SCHEMBL15074412 0.81 BRD4 (0.48) CREBBPBRD4SMN1; SMN2HSD17B10KMT2A
SCHEMBL21882013 0.81 AKR1B1 (0.39) CREBBPBRD4SMN1; SMN2KMT2AMAPT
SCHEMBL16123162 0.81 PBRM1 (0.47) CREBBPBRD4SMN1; SMN2HSD17B10KMT2A
SCHEMBL21882006 0.81 AKR1B1 (0.39) CREBBPBRD4SMN1; SMN2KMT2AMAPT
SCHEMBL21882007 0.81 AKR1B1 (0.39) CREBBPBRD4SMN1; SMN2KMT2AMAPT
SCHEMBL18359152 0.81 BRD4 (0.39) CREBBPBRD4SMN1; SMN2HSD17B10GAA

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-2020252207-A1 MODULATORS OF INTEGRATED STRESS RESPONSE PATHWAY Praxis Biotech LLC (US) 2020-12-17 WO disclosed