SCHEMBL6966760

SCHEMBL6966760

CCCc1cc(NC(=O)N2CCN(c3cc(F)cc(F)c3)CC2)c(OC)nc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
RBP4 P02753 1/20 0.38
TP53 P04637 4/20 0.38
LMNA P02545 3/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
PKM P14618 1/20 0.37
MAPK1 P28482 3/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL8699306 0.93 MAPT (0.42) MAPTKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL6964806 0.90 KMT2A (0.39) MAPTKDM4EALDH1A1KMT2AGAA
SCHEMBL8089048 0.89 KMT2A (0.45) MAPTSMN1; SMN2ALDH1A1KMT2AGAA
SCHEMBL8699252 0.86 MAPT (0.44) MAPTKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL8704891 0.84 MAPT (0.53) MAPTKDM4ESMN1; SMN2ALDH1A1RBP4
SCHEMBL6956352 0.83 MAPT (0.44) MAPTKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL6956284 0.83 RBP4 (0.43) MAPTKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL6966785 0.82 MAPT (0.41) MAPTKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL6654791 0.82 PHGDH (0.43) MAPTKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL8699435 0.82 RBP4 (0.49) MAPTKDM4EALDH1A1KMT2AGAA

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-0850222-B1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2003-05-28 EP disclosed
US-6028195-A AN ANTITUMOR AGENT WITH VERY LOW TOXICITIES SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-02-22 US disclosed