SCHEMBL4633137

SCHEMBL4633137

O=NN1c2ccccc2CC1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.38
AADAT Q8N5Z0 2/20 0.38
GOT1 P17174 1/20 0.38
KYAT1 Q16773 1/20 0.38
KYAT3 Q6YP21 1/20 0.38
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
HTR2A P28223 5/20 0.33
HTR2C P28335 5/20 0.33
HTR2B P41595 4/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
LMNA P02545 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL10892562 0.78 NOTUM (0.53) NOTUMMEN1KMT2ASLC22A12HTR2A
SCHEMBL29618970 0.78 NOTUM (0.53) NOTUMMEN1KMT2ASLC22A12HTR2A
SCHEMBL29618969 0.78 NOTUM (0.53) NOTUMMEN1KMT2ASLC22A12HTR2A
SCHEMBL15181290 0.74 DRD2 (0.41) NOTUMAADATGOT1KYAT1KYAT3
SCHEMBL27464739 0.72 NOTUM (0.38) NOTUMAADATGOT1KYAT1KYAT3
SCHEMBL10417968 0.71 AADAT (0.44) NOTUMAADATGOT1KYAT1KYAT3
SCHEMBL28162632 0.71 HTR2A (0.42) NOTUMHTR2AHTR2CHTR2BSLC6A2
SCHEMBL7441642 0.68 NOTUM (0.50) NOTUMAADATGOT1KYAT1KYAT3
Acetic Acid SCHEMBL10494848 0.67 NOTUM (0.49) NOTUMMEN1KMT2A
SCHEMBL7814244 0.67 CHRM2 (0.38) NOTUMAADATGOT1KYAT1KYAT3

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-1931341-A2 NOVEL 1H-INDOLE-PYRIDINECARBOXAMIDE DERIVATIVES AND 1H-INDOLE-PIPERIDINECARBOXAMIDE AND THEIR USE AS HYDROXALASE TYROSINE INDUCERS Les Laboratoires Servier (FR) 2008-06-18 EP disclosed
WO-2007006922-A2 NOVEL 1H-INDOLE-PYRIDINECARBOXAMIDE DERIVATIVES AND 1H-INDOLE-PIPERIDINECARBOXAMIDE AND THEIR USE AS HYDROXYLASE TYROSINE INDUCERS LES LABORATOIRES SERVIER (FR) 2007-01-18 WO disclosed