SCHEMBL11380650

SCHEMBL11380650

NC(=O)c1nnc(S)n1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.40
ADRA1D P25100 1/20 0.39
CPB1 P15086 1/20 0.39
PARP1 P09874 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
NOTUM Q6P988 1/20 0.38
KMT2A Q03164 1/20 0.38
CCR2 P41597 1/20 0.38
PLA2G2A P14555 3/20 0.38
PLA2G10 O15496 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
SCHEMBL14204147 0.87 NOTUM (0.43) SMN1; SMN2TSHRLMNAHSD17B10HPGD
SCHEMBL11419391 0.81 ALDH1A1 (0.45) SMN1; SMN2LMNAHSD17B10HPGDPARP1
SCHEMBL7805983 0.75 KDM4E (0.43) SMN1; SMN2TSHRLMNAHSD17B10HPGD
SCHEMBL6565290 0.75 KDM4E (0.43) SMN1; SMN2TSHRLMNAHSD17B10HPGD
SCHEMBL14160787 0.74 KDM4E (0.50) SMN1; SMN2TSHRLMNAHPGDGSK3A
SCHEMBL5012601 0.72 SMN1; SMN2 (0.41) SMN1; SMN2TSHRLMNAGSK3AGSK3B
SCHEMBL10480363 0.71 KDM4E (0.51) SMN1; SMN2TSHRLMNAKDM4ENPSR1
SCHEMBL4784826 0.71 CYP2C19 (0.57) SMN1; SMN2TSHRLMNAHSD17B10KDM4E
SCHEMBL1104400 0.70 ALDH1A1 (0.50) SMN1; SMN2TSHRLMNAHPGDKDM4E
SCHEMBL10012854 0.70 SMN1; SMN2 (0.52) SMN1; SMN2TSHRLMNAHPGDGSK3A

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-4271308-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1981-06-02 US disclosed
US-4120864-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1978-10-17 US disclosed