SCHEMBL9833159

SCHEMBL9833159

O=C1NC(=O)C2C(c3ccccc3[N+](=O)[O-])C=CC(c3ccccc3)C12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CASP1 P29466 1/20 0.41
BRCA1 P38398 1/20 0.41
CASP7 P55210 1/20 0.41
HBB P68871 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
KDM4A O75164 1/20 0.40
TDP2 O95551 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 2/20 0.39

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
SCHEMBL9266966 0.80 DNMT3B (0.47) ALDH1A1TSHRHSD17B10KMT2AMEN1
SCHEMBL10534400 0.73 NR4A1 (0.42) ALDH1A1TSHRHSD17B10KMT2AMEN1
SCHEMBL469131 0.71 CUL4A (0.43) ALDH1A1TSHRHSD17B10KMT2AMEN1
SCHEMBL10407685 0.70 KMT2A (0.39) ALDH1A1TSHRHSD17B10KMT2AMEN1
SCHEMBL30335476 0.70 NR4A1 (0.44) ALDH1A1KMT2AMEN1TDP1MAPT
SCHEMBL11615897 0.70 TDP1 (0.42) ALDH1A1TSHRHSD17B10KMT2AMEN1
SCHEMBL7711681 0.70 CUL4A (0.48) ALDH1A1TSHRHSD17B10KMT2AMEN1
SCHEMBL19366233 0.68 HSD17B10 (0.43) ALDH1A1TSHRHSD17B10CASP7KMT2A
SCHEMBL10407683 0.68 KMT2A (0.48) ALDH1A1TSHRHSD17B10KMT2AMEN1
SCHEMBL9100356 0.67 TDP1 (0.43) ALDH1A1HSD17B10CASP7KMT2AMEN1

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
EP-0362695-B1 PYRROLOCARBAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS GÖDECKE AKTIENGESELLSCHAFT (DE) 1991-04-03 EP disclosed
EP-0362695-A1 Pyrrolocarbazole derivatives, processes for their preparation and their use as medicaments GÖDECKE AKTIENGESELLSCHAFT (DE) 1990-04-11 EP disclosed
US-4912107-A Pyrrolocarbazole derivatives, compositions containing them, and methods for using them GOEDECKE AKTIENGESELLSCHAFT (DE) 1990-03-27 US disclosed