SCHEMBL9506041

SCHEMBL9506041

CC(CN1CCCC(C)(C)C1)N1c2ccccc2Sc2ccc(C(=N)N)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH1 P35367 4/20 0.36
HTR1A P08908 3/20 0.36
DRD2 P14416 3/20 0.36
ADRA2B P18089 3/20 0.36
ADRA2C P18825 3/20 0.36
HTR2A P28223 3/20 0.36
ADRA1A P35348 3/20 0.36
DRD3 P35462 3/20 0.36
HTR2B P41595 3/20 0.36
KCNH2 Q12809 3/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
HTR2C P28335 2/20 0.36

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
Hydrochloric Acid SCHEMBL10385192 0.99 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL9503890 0.88 USP2 (0.39) ALDH1A1MEN1KMT2AHRH1HTR1A
Hydrochloric Acid SCHEMBL9758874 0.87 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHRH1HTR1A
Hydrochloric Acid SCHEMBL9758866 0.87 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHRH1HTR1A
Hydrochloric Acid SCHEMBL10385724 0.86 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AHRH1HTR1A
SCHEMBL10385689 0.81 ACHE (0.41) ALDH1A1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL9332052 0.80 HDAC3 (0.47) ALDH1A1MEN1KMT2AHRH1HTR1A
Hydrochloric Acid SCHEMBL10385194 0.80 HRH1 (0.54) ALDH1A1MEN1KMT2ACYP2C9CYP2C19
Hydrochloric Acid SCHEMBL9759596 0.79 HDAC3 (0.47) ALDH1A1MEN1KMT2AHRH1HTR1A
Hydrochloric Acid SCHEMBL9759597 0.79 HDAC3 (0.47) ALDH1A1MEN1KMT2AHRH1HTR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0346240-B1 PHENOTHIAZINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC SANTE (FR) 1993-06-02 EP claimed
US-4912105-A Derivatives of phenothiazine and the compositions which contain them RHONE-POULENC SANTE (FR) 1990-03-27 US claimed
US-4912105-A Derivatives of phenothiazine and the compositions which contain them RHONE-POULENC SANTE (FR) 1990-03-27 US disclosed