SCHEMBL17375537

SCHEMBL17375537

COc1cc(C(=O)O)c(N)cc1OCCCN1CCN(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 5/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
HTR3A P46098 1/20 0.47
EHMT2 Q96KQ7 5/20 0.47
EHMT1 Q9H9B1 4/20 0.47
EGFR P00533 3/20 0.46
KDR P35968 3/20 0.46
CSF1R P07333 2/20 0.45
SLC29A1 Q99808 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
RAD52 P43351 1/20 0.44

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
SCHEMBL19260705 0.92 HTR4 (0.56) HTR4ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL17375500 0.89 KDM4E (0.58) HTR4ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL30764768 0.89 KDM4E (0.58) HTR4ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL2235600 0.83 KDM4E (0.56) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2926517 0.82 HTR4 (0.56) HTR4ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL18089590 0.82 KDM4E (0.54) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL19260656 0.81 KDM4E (0.59) HTR4ALDH1A1MEN1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL2925147 0.81 HTR4 (0.57) HTR4ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL4379114 0.80 HTR4 (0.60) HTR4ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL13299069 0.79 KDM4E (0.51) ALDH1A1MEN1KMT2AKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015198249-A1 PROCESS FOR PREPARATION OF BOSUTINIB SHILPA MEDICARE LIMITED (IN) 2015-12-30 WO disclosed