SCHEMBL10385691

SCHEMBL10385691

CCC(N1CCCC(C)(C)C1)N1c2ccccc2Sc2ccc(C#N)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 3/20 0.40
DRD3 P35462 2/20 0.40
SLC6A3 Q01959 2/20 0.40
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 1/20 0.40
ACHE P22303 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL9331502 0.89 DRD3 (0.44) MEN1ALDH1A1KMT2ALMNADRD3
Hydrochloric Acid SCHEMBL9331483 0.88 DRD3 (0.44) MEN1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL9759044 0.82 LMNA (0.42) ALDH1A1SMN1; SMN2LMNADRD3SLC6A3
SCHEMBL10385689 0.82 ACHE (0.41) MEN1ALDH1A1KMT2ACYP2C19CYP2C9
SCHEMBL9759043 0.75 DRD3 (0.45) MEN1ALDH1A1KMT2ACYP2C19SMN1; SMN2
SCHEMBL9759226 0.75 DRD3 (0.45) MEN1ALDH1A1KMT2ACYP2C19SMN1; SMN2
SCHEMBL9331534 0.74 LMNA (0.46) CYP2C19LMNADRD3SLC6A3PGR
SCHEMBL9331364 0.73 LMNA (0.41) ALDH1A1SMN1; SMN2LMNADRD3SLC6A3
SCHEMBL9331494 0.72 PTGS1 (0.47) MEN1ALDH1A1KMT2ALMNADRD3
SCHEMBL9759590 0.72 PTGS1 (0.47) MEN1ALDH1A1KMT2ALMNADRD3

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
US-4912105-A Derivatives of phenothiazine and the compositions which contain them RHONE-POULENC SANTE (FR) 1990-03-27 US disclosed