SCHEMBL8666374

SCHEMBL8666374

COC(=O)c1ccc(C2=NC(c3ccccc3[N+](=O)[O-])(C3(c4ccccc4[N+](=O)[O-])N=C(c4ccc(C(=O)OC)cc4)C(c4ccc(C(=O)OC)cc4)=N3)N=C2c2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
POLB P06746 2/20 0.46
ERN1 O75460 1/20 0.45
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
HPGD P15428 2/20 0.42
CYP2C19 P33261 2/20 0.42
ABCC4 O15439 1/20 0.42
PLIN1 O60240 1/20 0.42
CACNA1F O60840 1/20 0.42
GMNN O75496 1/20 0.42
KCNK2 O95069 1/20 0.42
ABCB11 O95342 1/20 0.42
GSR P00390 1/20 0.42

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
SCHEMBL8664750 0.87 ALDH1A1 (0.53) MAPTPOLBALDH1A1KMT2ASMN1; SMN2
SCHEMBL8665764 0.86 MYC (0.47) MAPTALDH1A1KMT2ASMN1; SMN2CYP1A2
SCHEMBL2493563 0.81 TSHR (0.45) MAPTALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL80422 0.80 TDP1 (0.49) MAPTALDH1A1KMT2AKDM4ECYP1A2
SCHEMBL8078179 0.80 TSHR (0.44) MAPTPOLBALDH1A1SMN1; SMN2TSHR
SCHEMBL8663910 0.80 TSHR (0.44) MAPTPOLBERN1ALDH1A1KMT2A
SCHEMBL2492082 0.79 TSHR (0.42) MAPTALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL2497787 0.79 EGFR (0.52) MAPTALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL8668402 0.78 RAB9A (0.48) MAPTPOLBALDH1A1KMT2ASMN1; SMN2
SCHEMBL8664266 0.77 MAPT (0.41) MAPTPOLBALDH1A1KMT2ASMN1; SMN2

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-5792589-A ORGANIC BINDER; OPTICALLY CROSSLINKABLE COMPOUND; RADICAL-GENERATING AGENT: 2,4,5-TRIARYL IMIDAZOLE DIMER, AMINO-GROUP CONTAINING BENZOPHENONE PHOTOSENSITIZER, A THIOL COMPOUND JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1998-08-11 US disclosed