SCHEMBL9872211

SCHEMBL9872211

N=C1NCC(c2ccccc2)S1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOB P27338 2/20 0.33
CA2 P00918 1/20 0.32
GBA1 P04062 1/20 0.32
SLC18A3 Q16572 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32

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
SCHEMBL13136713 0.76 ALDH1A1 (0.45) ALDH1A1TSHRSMN1; SMN2HSD17B10MEN1
SCHEMBL11595331 0.76 ALDH1A1 (0.41) ALDH1A1TSHRSMN1; SMN2HSD17B10MEN1
SCHEMBL3623346 0.74 HSD17B10 (0.56) ALDH1A1TSHRSMN1; SMN2HSD17B10MEN1
SCHEMBL6414384 0.67 TSHR (0.36) ALDH1A1TSHRSMN1; SMN2HSD17B10MAOB
SCHEMBL10833495 0.65 MAOB (0.65) ALDH1A1TSHRSMN1; SMN2HSD17B10MEN1
Hydrochloric Acid SCHEMBL5848587 0.65 TSHR (0.35) ALDH1A1TSHRSMN1; SMN2HSD17B10GAA
SCHEMBL11883999 0.64 MEN1 (0.50) ALDH1A1TSHRSMN1; SMN2HSD17B10MEN1
SCHEMBL383636 0.63
SCHEMBL28529394 0.63
SCHEMBL10435950 0.63 MAOB (0.43) ALDH1A1TSHRSMN1; SMN2HSD17B10MEN1

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-4996208-A Pesticidal thiazolopyrimidine derivatives BAYER AKTIENGESELLSCHAFT (DE) 1991-02-26 US disclosed