SCHEMBL17010333

SCHEMBL17010333

Clc1nnc(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.59
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPK10 P53779 1/20 0.54
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
HSD17B10 Q99714 3/20 0.53
TSHR P16473 2/20 0.53
GLA P06280 1/20 0.51
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TRPA1 O75762 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
OXTR P30559 1/20 0.45
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD11B1 P28845 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
SCHEMBL39449 0.85 AVPR1A (0.70) AVPR1AHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL18327898 0.85 AVPR1A (0.70) AVPR1AHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL8339889 0.81 AVPR1A (0.78) AVPR1AHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL4402535 0.81 AVPR1A (0.78) AVPR1AHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL4402513 0.79 AVPR1A (0.63) AVPR1AHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL515383 0.78 AVPR1A (0.92) AVPR1AHPGDSMN1; SMN2MAPK10ALDH1A1
SCHEMBL9299272 0.78 AVPR1A (0.56) AVPR1AHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL28320964 0.77 AVPR1A (0.71) AVPR1AHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2620730 0.76 AVPR1A (0.70) AVPR1AHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL1104395 0.76 AVPR1A (0.59) AVPR1AHPGDSMN1; SMN2ALDH1A1KDM4E

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-2015122711-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-20 WO disclosed