SCHEMBL901588

SCHEMBL901588

S=P(S)(c1ccccc1)N1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.36
GFER P55789 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 3/20 0.35
KCNA5 P22460 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
KCNH2 Q12809 2/20 0.35
KCNE1 P15382 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35

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
SCHEMBL15604720 0.81 LMNA (0.42) HTTTSHRALDH1A1LMNANPSR1
SCHEMBL16181025 0.81 NPC1 (0.38) TSHRALDH1A1LMNANPSR1CRHBP
SCHEMBL13123923 0.77 ALDH1A1 (0.46) HTTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL901683 0.74 HTT (0.37) HTTTSHRGFERALDH1A1LMNA
SCHEMBL902864 0.74 ALDH1A1 (0.38) HTTTSHRALDH1A1LMNANPSR1
SCHEMBL902080 0.74 ALDH1A1 (0.39) HTTTSHRGFERALDH1A1LMNA
SCHEMBL902099 0.74 ALDH1A1 (0.33) TSHRALDH1A1LMNANPSR1CRHBP
SCHEMBL902866 0.72 LMNA (0.36) HTTTSHRGFERALDH1A1LMNA
SCHEMBL902081 0.72 HTT (0.35) HTTTSHRGFERALDH1A1LMNA
SCHEMBL902100 0.72 HTT (0.35) HTTTSHRGFERALDH1A1LMNA

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
WO-2012042227-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PLANTS PENINSULA COLLEGE OF MEDICINE AND DENTISTRY, UNIVERSITY OF EXETER (GB) 2012-04-05 WO claimed
WO-2012042227-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PLANTS PENINSULA COLLEGE OF MEDICINE AND DENTISTRY, UNIVERSITY OF EXETER (GB) 2012-04-05 WO disclosed