SCHEMBL8137208

SCHEMBL8137208

Clc1cc(C2CC2)n(-c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
FGFR1 P11362 1/20 0.39
NOTUM Q6P988 1/20 0.36
DPP4 P27487 1/20 0.34
KCNH2 Q12809 1/20 0.33
PRCP P42785 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
MDM2 Q00987 1/20 0.32
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
CREBBP Q92793 1/20 0.32
KCNJ6 P48051 1/20 0.32
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
MAT2A P31153 1/20 0.32
MAT1A Q00266 1/20 0.32
RET P07949 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL8144039 0.69 ATM (0.42) MAPK1MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8139014 0.69 MAPK1 (0.47) MAPK1FGFR1NOTUMALDH1A1
SCHEMBL8140211 0.67 MAPK1 (0.45) MAPK1FGFR1KCNH2ALDH1A1
SCHEMBL8136833 0.66 MAPK1 (0.44) MAPK1FGFR1KCNH2MAT2AALDH1A1
SCHEMBL8250413 0.62 TSHR (0.44) MAPK1ALDH1A1SMN1; SMN2
SCHEMBL10059742 0.62 ALDH1A1 (0.60) MAPK1FGFR1MEN1ALDH1A1KMT2A
SCHEMBL10059490 0.61 KDM4E (0.53) MAT2AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL22004117 0.60 AHR (0.45) MAT2AMEN1KMT2AHTR2CSLC6A4
SCHEMBL1905014 0.59 POLB (0.50) MDM2ALDH1A1SMN1; SMN2
SCHEMBL23714684 0.59 BRD4 (0.39) NOTUMBRD4CREBBPALDH1A1SMN1; 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-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO disclosed