SCHEMBL7973433

SCHEMBL7973433

COc1ccc(CN(C)c2nc(OCCCO)nc3c(N(C)Cc4ccc(OC)c(OC)c4)ncnc23)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 4/20 0.49
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
PDE5A O76074 1/20 0.36
OPRM1 P35372 2/20 0.36
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7960335 0.94 CSF1R (0.47) CSF1RKMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL28734211 0.66 POLB (0.55) KDM4EPOLBTUBB1TMEM97SIGMAR1
SCHEMBL13849660 0.65 KDM4E (0.53) SMN1; SMN2KDM4EPOLBTUBB1TMEM97
SCHEMBL30335458 0.65 TNKS2 (0.54) KDM4EPOLBTUBB1TMEM97SIGMAR1
SCHEMBL22609987 0.65 TNKS2 (0.54) KDM4EPOLBTUBB1TMEM97SIGMAR1
SCHEMBL7973381 0.64 TLR7 (0.46) CSF1RSMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL2321003 0.63 CSF1R (0.49) CSF1RSMN1; SMN2KDM4EPOLBALDH1A1
SCHEMBL28734166 0.63 POLB (0.54) KMT2AKDM4EPOLBTUBB1MAPT
SCHEMBL81112 0.62 KDM4E (0.63) KMT2AKDM4EPOLBTUBB1MAPT
SCHEMBL22609995 0.62 KCNH2 (0.57) KDM4EPOLBTMEM97SIGMAR1

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
US-6297250-B1 USEFUL FOR INHIBITING TRANSPORT OF NUCLEOSIDES OR PURINES ACROSS CELL MEMBRANES, THEREBY TO POTENTIATE THE ACTIVITY OF VARIOUS CYTOTOXIC ANTITUMOR DRUGS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2001-10-02 US claimed