SCHEMBL9724931

SCHEMBL9724931

N=c1scnn1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP19A1 P11511 3/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.40
KMT2A Q03164 1/20 0.40
SLC9A1 P19634 1/20 0.40
GRM2 Q14416 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
IDO1 P14902 1/20 0.38
GAA P10253 1/20 0.38
CASP3 P42574 1/20 0.38
NR1H3 Q13133 1/20 0.38

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
Bromide SCHEMBL3923746 0.98 TSHR (0.44) TSHRRECQLSMN1; SMN2NPC1RAB9A
SCHEMBL6360177 0.82 ALDH1A1 (0.53) RECQLALDH1A1ALOX15HSD17B10LMNA
SCHEMBL10357861 0.70 TSHR (0.39) TSHRRECQLSMN1; SMN2NPC1RAB9A
SCHEMBL9724804 0.70 TSHR (0.39) TSHRRECQLSMN1; SMN2NPC1RAB9A
SCHEMBL4361625 0.67 P2RX7 (0.56) TSHRRECQLSMN1; SMN2NPC1RAB9A
SCHEMBL23749756 0.66 SMN1; SMN2 (0.47) TSHRSMN1; SMN2NPC1RAB9ACYP19A1
SCHEMBL4365345 0.65 TSHR (0.56) TSHRRECQLCYP19A1ALDH1A1KDM4E
SCHEMBL23749741 0.64 CHRNB2 (0.59) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL144813 0.64 TSHR (0.69) TSHRRECQLSMN1; SMN2CYP19A1ALDH1A1
SCHEMBL7174067 0.63 RECQL (0.56) TSHRRECQLCYP19A1ALDH1A1KDM4E

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
US-5093324-A Ribose-substituted ELI LILLY AND COMPANY (US) 1992-03-03 US disclosed
EP-0392769-A1 Thiadiazole antiviral agents ELI LILLY AND COMPANY (US) 1990-10-17 EP disclosed