SCHEMBL9638692

SCHEMBL9638692

Nc1ccc(N)c(C(O)C(O)(O)O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.35
RECQL P46063 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
APEX1 P27695 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
MCL1 Q07820 1/20 0.35
CASP1 P29466 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.34
ALOX15 P16050 2/20 0.34
TSHR P16473 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA1 P00915 1/20 0.30

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
SCHEMBL28602537 0.82 TSHR (0.36) THRBRECQLTDP1MEN1USP2
SCHEMBL446559 0.74 ALDH1A1 (0.41) THRBRECQLTDP1MEN1USP2
SCHEMBL29940754 0.74 ALDH1A1 (0.41) THRBRECQLTDP1MEN1USP2
SCHEMBL111094 0.72 THRB (0.36) THRBRECQLTDP1MEN1USP2
SCHEMBL11584910 0.72 CASP1 (0.38) THRBRECQLTDP1MEN1USP2
SCHEMBL29358097 0.72 THRB (0.36) THRBRECQLTDP1MEN1USP2
SCHEMBL2847906 0.72 NOS2 (0.36) THRBRECQLTDP1MEN1USP2
Hydrochloric Acid SCHEMBL19549198 0.71 MAPT (0.39) THRBRECQLTDP1MEN1USP2
SCHEMBL6946033 0.71 THRB (0.35) THRBRECQLTDP1MEN1USP2
SCHEMBL7865964 0.69 THRB (0.34) THRBRECQLTDP1MEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0395726-B1 REDUCTION OF CARBOXYL END GROUPS IN POLYESTER WITH LACTIM ETHERS AlliedSignal Inc. (US) 1992-07-15 EP disclosed
EP-0395726-A1 REDUCTION OF CARBOXYL END GROUPS IN POLYESTER WITH LACTIM ETHERS. ALLIED SIGNAL INC (US) 1990-11-07 EP disclosed
WO-1989008160-A1 REDUCTION OF CARBOXYL END GROUPS IN POLYESTER WITH LACTIM ETHERS ALLIED-SIGNAL INC. (US) 1989-09-08 WO disclosed
US-4839124-A Reduction of carboxyl end groups in polyester fibers with lactim ethers ALLIED-SIGNAL INC. (US) 1989-06-13 US disclosed