SCHEMBL6907145

SCHEMBL6907145

Nc1nc(O)c2nc(CCNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 10/20 0.67
KDM4E B2RXH2 2/20 0.61
MEN1 O00255 2/20 0.61
ALDH1A1 P00352 2/20 0.61
TYMS P04818 2/20 0.61
POLB P06746 2/20 0.61
HPGD P15428 2/20 0.61
KMT2A Q03164 2/20 0.61
HSD17B10 Q99714 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
GAA P10253 1/20 0.61
AKR1B1 P15121 1/20 0.61
TSHR P16473 1/20 0.61
PTGS2 P35354 1/20 0.61
TLR4 O00206 1/20 0.59
LMNA P02545 1/20 0.59
TP53 P04637 1/20 0.59
GLA P06280 1/20 0.59
HMGB1 P09429 1/20 0.59
MAPT P10636 1/20 0.59

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
SCHEMBL12717617 0.95 DHFR (0.65) DHFRKDM4EMEN1ALDH1A1TYMS
SCHEMBL864864 0.92 DHFR (0.79) DHFRKDM4EMEN1ALDH1A1TYMS
SCHEMBL1021371 0.92 DHFR (0.79) DHFRKDM4EMEN1ALDH1A1TYMS
Folic Acid SCHEMBL29677832 0.91 KDM4E (0.73) DHFRKDM4EMEN1ALDH1A1TYMS
Folic Acid SCHEMBL3878 0.91 KDM4E (0.73) DHFRKDM4EMEN1ALDH1A1TYMS
Folic Acid SCHEMBL6470174 0.91 KDM4E (0.73) DHFRKDM4EMEN1ALDH1A1TYMS
Folic Acid SCHEMBL12148554 0.91 KDM4E (0.73) DHFRKDM4EMEN1ALDH1A1TYMS
Folic Acid SCHEMBL23388805 0.90 KDM4E (0.72) DHFRKDM4EMEN1ALDH1A1TYMS
Folic Acid SCHEMBL22441084 0.90 KDM4E (0.72) DHFRKDM4EMEN1ALDH1A1TYMS
Folic Acid SCHEMBL652283 0.90 KDM4E (0.72) DHFRKDM4EMEN1ALDH1A1TYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689756-B2 VIA CATHETER COMPRISING ANTIMICROBIAL AGENT AND SECOND CATHETER FOR WITHDRAWING FLUID; FOR TREATING INFECTION OR NEOPLASM OF CEREBROSPINAL TISSUE INTEGRA LIFESCIENCES CORPORATION 2004-02-10 US disclosed
US-20030022879-A1 Treatment of neurological disease INTEGRA LIFESCIENCES CORPORATION 2003-01-30 US disclosed
WO-2002069893-A2 TREATMENT OF NEUROLOGICAL DISEASE NEURON THERAPEUTICS, INC. (US) 2002-09-12 WO disclosed