SCHEMBL8568969

SCHEMBL8568969

CCn1nc(C)c(C)c1C(=O)N(C)c1ccccc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.36
DGAT1 O75907 1/20 0.36
SOAT1 P35610 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 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
SCHEMBL8568966 0.76 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2AKDM4ELMNA
SCHEMBL8573164 0.72 GPBAR1 (0.45) TACR1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL8570467 0.71 L3MBTL1 (0.49) TACR1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL8571115 0.70 PDE4D (0.53) SMN1; SMN2MEN1KMT2AKDM4EPDE4D
SCHEMBL8574909 0.69 TACR1 (0.43) TACR1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL8720338 0.69 TACR1 (0.57) TACR1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL5883327 0.68 TACR1 (0.54) TACR1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL7452209 0.68 TACR1 (0.46) TACR1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8569426 0.67 TACR1 (0.42) TACR1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8574900 0.67 TACR1 (0.42) TACR1SMN1; SMN2MEN1KMT2AALDH1A1

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-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US disclosed