SCHEMBL3837798

SCHEMBL3837798

CC(C)(C)[Si](C)(C)OCCN1CCN(CCN2CCC=C(C(=O)O)C2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
CYP2C9 P11712 2/20 0.50
MEN1 O00255 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
SLC6A1 P30531 1/20 0.50
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
BLM P54132 2/20 0.48
PMP22 Q01453 2/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALOX12 P18054 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL3842966 0.96 KMT2A (0.51) KMT2ACYP2C9MEN1CYP3A4ALOX15
SCHEMBL4516519 0.88 LMNA (0.48) KMT2ACYP2C9MEN1CYP3A4ALOX15
SCHEMBL4515554 0.84 LMNA (0.51) KMT2ACYP2C9MEN1CYP3A4ALOX15
SCHEMBL3862550 0.78 SLC6A1 (0.53) KMT2ACYP2C9MEN1CYP3A4ALOX15
SCHEMBL3842579 0.77 KMT2A (0.36) KMT2ACYP2C9MEN1CYP3A4ALOX15
SCHEMBL3837323 0.75 SLC6A1 (0.53) KMT2ACYP2C9MEN1CYP3A4ALOX15
SCHEMBL3843644 0.73 SLC6A1 (0.55) KMT2ACYP2C9MEN1CYP3A4ALOX15
SCHEMBL20305802 0.72 SMN1; SMN2 (0.44) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL3838240 0.71 DGAT1 (0.33) KMT2ACYP2C9MEN1CYP3A4ALOX15
SCHEMBL3842824 0.70 SLC6A1 (0.57) KMT2ACYP2C9MEN1CYP3A4ALOX15

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
EP-1931341-B1 1H-INDOLE-PYRIDINECARBOXAMIDE AND 1H-INDOLE-PIPERIDINECARBOXAMIDE DERIVATIVES AND THEIR USE AS TYROSINE HYDROXYLASE INDUCERS SERVIER LAB (FR) 2009-11-04 EP disclosed