SCHEMBL8699252

SCHEMBL8699252

COc1nc(C)c(C)cc1NC(=O)N1CCN(c2cc(F)cc(F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.41
RBP4 P02753 1/20 0.41
HSD17B10 Q99714 2/20 0.41
PKM P14618 2/20 0.41
TP53 P04637 5/20 0.41
POLB P06746 4/20 0.41
LMNA P02545 3/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
S1PR2 O95136 1/20 0.40

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
SCHEMBL6963524 0.89 KMT2A (0.43) MAPTKDM4EKMT2AGAARBP4
SCHEMBL8699306 0.89 MAPT (0.42) MAPTKDM4ESMN1; SMN2KMT2AGAA
SCHEMBL6956352 0.89 MAPT (0.44) MAPTKDM4ESMN1; SMN2KMT2AGAA
SCHEMBL8702969 0.88 RBP4 (0.49) MAPTKDM4ESMN1; SMN2KMT2AGAA
SCHEMBL6954279 0.88 KMT2A (0.49) MAPTSMN1; SMN2KMT2AGAARBP4
SCHEMBL6966785 0.88 MAPT (0.41) MAPTKDM4ESMN1; SMN2KMT2AGAA
SCHEMBL6651805 0.87 CYP3A4 (0.47) MAPTKDM4ESMN1; SMN2KMT2APOLB
SCHEMBL6960140 0.87 MAPT (0.41) MAPTKDM4ESMN1; SMN2KMT2AGAA
SCHEMBL6966760 0.86 MAPT (0.40) MAPTKDM4ESMN1; SMN2KMT2AGAA
SCHEMBL6652808 0.86 RBP4 (0.57) MAPTKDM4EKMT2AGAARBP4

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-5780472-A ANTITUMOR AGENTS SAMJIN PHARMACEUTICAZL CO., LTD. (KR) 1998-07-14 US disclosed
WO-1996021648-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1996-07-18 WO disclosed