SCHEMBL7794978

SCHEMBL7794978

COc1nc2ccccc2nc1NC(=O)N1CCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1.O=[N+]([O-])c1cc(N2CCNCC2)cc([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
PDGFRB P09619 3/20 0.41
KIT P10721 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT3 P36888 1/20 0.41
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
ADRB1 P08588 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL6562785 0.95 KMT2A (0.49) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7800644 0.86 RBP4 (0.46) MEN1KMT2AALDH1A1MAPTPDGFRB
SCHEMBL7795033 0.86 MAPT (0.40) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL7803113 0.84 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6560749 0.82 MAPT (0.49) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6559685 0.81 MAPT (0.50) KMT2AALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL6559618 0.80 MAPT (0.44) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL6560691 0.80 RBP4 (0.51) MEN1KMT2AALDH1A1MAPTPDGFRB
SCHEMBL7803549 0.80 HTR6 (0.53) MAPTLMNAADRB1
SCHEMBL3442752 0.80 ALDH1A1 (0.53) MEN1KMT2AALDH1A1MAPTLMNA

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-1075469-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2001-02-14 EP disclosed
WO-2000052001-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-09-08 WO disclosed