SCHEMBL11539486

SCHEMBL11539486

Cc1nnc2ccc(N3CCOCC3)nn12

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.74
HTT P42858 2/20 0.74
KDM4E B2RXH2 3/20 0.70
MAPT P10636 3/20 0.68
ALDH1A1 P00352 2/20 0.68
ALOX15 P16050 1/20 0.63
PIM1 P11309 2/20 0.63
TSHR P16473 1/20 0.61
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 2/20 0.46
RXFP1 Q9HBX9 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL11751799 0.81 PIM1 (0.79) SMN1; SMN2HTTKDM4EMAPTALDH1A1
SCHEMBL21434305 0.81 SMN1; SMN2 (0.74) SMN1; SMN2HTTKDM4EMAPTALDH1A1
SCHEMBL8793638 0.81 ALOX15 (0.63) SMN1; SMN2HTTKDM4EMAPTALDH1A1
SCHEMBL2764709 0.81 TSHR (0.65) SMN1; SMN2HTTKDM4EMAPTALDH1A1
SCHEMBL10764354 0.81 ALOX15 (0.63) SMN1; SMN2HTTKDM4EMAPTALDH1A1
SCHEMBL10965004 0.80 PIM1 (0.76) SMN1; SMN2HTTKDM4EMAPTALDH1A1
SCHEMBL4739564 0.77 PIM1 (0.77) SMN1; SMN2HTTKDM4EMAPTALDH1A1
SCHEMBL11744529 0.77 PIM1 (1.00) SMN1; SMN2HTTKDM4EMAPTALDH1A1
SCHEMBL11750943 0.77 PIM1 (0.77) SMN1; SMN2HTTKDM4EMAPTALDH1A1
SCHEMBL11750697 0.77 PIM1 (0.72) HTTKDM4EMAPTALDH1A1ALOX15

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-4136182-A TRIAZOLOPYRIDAZINES USED TO ALLEVIATE BRONCHIAL SPASMS THE DOW CHEMICAL COMPANY (US) 1979-01-23 US disclosed