SCHEMBL7745482

SCHEMBL7745482

N#CCn1c(Cn2nc(I)c3ccccc32)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 4/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KCNH2 Q12809 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
AKR1B1 P15121 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL8365513 0.86 TP53 (0.45) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7745460 0.78 TSHR (0.61) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7745467 0.78 TOP2A (0.49) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL7740405 0.78 KDM4E (0.43) LMNAMEN1KMT2AKDM4EAKR1B1
SCHEMBL7745216 0.77 TSHR (0.50) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7745019 0.76 KDM4E (0.47) LMNAALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL7747798 0.76 MEN1 (0.41) LMNASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL7745475 0.76 AKR1B1 (0.41) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7745217 0.75 AGTR1 (0.39) LMNAALDH1A1MEN1KMT2AKCNH2
SCHEMBL7740409 0.75 MEN1 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD

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-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed