SCHEMBL6239012

SCHEMBL6239012

N#CC1CC=CN=C1C1=CCN(CC(=O)Nc2ccc(F)cc2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 2/20 0.40
DRD4 P21917 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL6240374 0.79 MAPT (0.46) KMT2ASMN1; SMN2MAPTRAB9APOLB
SCHEMBL4002538 0.74 KMT2A (0.55) KMT2ASMN1; SMN2MAPTRAB9APOLB
SCHEMBL4009678 0.73 RAB9A (0.52) KMT2ASMN1; SMN2MAPTRAB9APOLB
SCHEMBL4002897 0.71 RAB9A (0.49) KMT2ASMN1; SMN2MAPTRAB9APOLB
SCHEMBL6243802 0.70 KMT2A (0.47) KMT2ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL6243775 0.67 KDM4E (0.43) KMT2ASMN1; SMN2MAPTPOLBCCNT1
SCHEMBL4005068 0.64 KMT2A (0.48) KMT2ASMN1; SMN2MAPTRAB9APOLB
SCHEMBL3488077 0.61 ALDH1A1 (0.69) KMT2ASMN1; SMN2MAPTRAB9APOLB
SCHEMBL4003903 0.61 KDM4E (0.50) KMT2ASMN1; SMN2MAPTPOLBDRD4
SCHEMBL4004550 0.61 SMN1; SMN2 (0.54) KMT2ASMN1; SMN2ALDH1A1CCNT1CDK9

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
EP-1509213-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION Abbott Laboratories (US) 2005-03-02 EP disclosed
WO-2003099266-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-04 WO disclosed