SCHEMBL21986304

SCHEMBL21986304

c1ccc(CNc2cnnnn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
FABP1 P07148 1/20 0.50
FABP6 P51161 1/20 0.50
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
NOS2 P35228 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 1/20 0.43
CXCR4 P61073 1/20 0.43

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
SCHEMBL30395405 1.00 HPGD (0.50) HPGDALDH1A1MEN1KMT2AFABP1
Hydrochloric Acid SCHEMBL16246102 0.98 HPGD (0.49) HPGDALDH1A1MEN1KMT2AFABP1
SCHEMBL10362194 0.78 FABP1 (0.55) HPGDALDH1A1MEN1KMT2AFABP1
SCHEMBL15900559 0.72 FABP1 (0.61) HPGDALDH1A1MEN1KMT2AFABP1
SCHEMBL16638088 0.71 MEN1 (0.48) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL560972 0.68 KCNH3 (0.48) ALDH1A1MEN1KMT2AFABP1FABP6
SCHEMBL3143358 0.68 CDK2 (0.57) HPGDALDH1A1MEN1KMT2AFABP1
SCHEMBL1307703 0.67 ALDH1A1 (0.46) HPGDALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL30850470 0.67 ALDH1A1 (0.46) HPGDALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL2230559 0.67 FABP1 (1.00) HPGDALDH1A1MEN1KMT2AFABP1

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-3730160-B1 CLICK-CROSSLINKED HYDROGELS AND METHODS OF USE HARVARD COLLEGE (US) 2023-06-07 EP claimed
EP-3894482-A1 FLUORESCENCE DYE Rheinisch-Westfälische Technische Hochschule (RWTH) Aachen (DE) 2021-10-20 EP claimed
WO-2020120636-A1 FLUORESCENCE DYE RHEINISCH-WESTFÄLISCHE TECHNISCHE HOCHSCHULE (RWTH) AACHEN (DE) 2020-06-18 WO claimed
EP-3125960-B1 CLICK-CROSSLINKED HYDROGELS AND METHODS OF USE HARVARD COLLEGE (US) 2020-06-03 EP claimed
EP-3894482-A1 FLUORESCENCE DYE Rheinisch-Westfälische Technische Hochschule (RWTH) Aachen (DE) 2021-10-20 EP disclosed
WO-2020120636-A1 FLUORESCENCE DYE RHEINISCH-WESTFÄLISCHE TECHNISCHE HOCHSCHULE (RWTH) AACHEN (DE) 2020-06-18 WO disclosed