SCHEMBL9404841

SCHEMBL9404841

O=C1CCCc2c(O)ccc([N+](=O)[O-])c21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.53
HPGD P15428 2/20 0.53
TSHR P16473 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP3A4 P08684 1/20 0.53
HIF1A Q16665 1/20 0.53
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
CASP6 P55212 1/20 0.46
CSNK2A2 P19784 2/20 0.43
CSNK2B P67870 2/20 0.43
CSNK2A1 P68400 2/20 0.43
CSNK2A3 Q8NEV1 2/20 0.43
CTSB P07858 1/20 0.41
GPR35 Q9HC97 2/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL31177224 1.00 TP53 (0.53) TP53HPGDTSHRSMN1; SMN2CYP3A4
SCHEMBL16555392 0.90 SMN1; SMN2 (0.56) TP53HPGDTSHRSMN1; SMN2CYP3A4
SCHEMBL22463118 0.84 TDP1 (0.40) TP53HPGDTSHRSMN1; SMN2CYP3A4
SCHEMBL7653325 0.82 BRD4 (0.39) TP53HPGDTSHRSMN1; SMN2CYP3A4
SCHEMBL7659144 0.81 MAPT (0.46) TP53HPGDTSHRSMN1; SMN2CYP3A4
SCHEMBL4846663 0.81 KDM4E (0.41) TP53HPGDTSHRSMN1; SMN2CYP3A4
SCHEMBL7656644 0.81 HIF1A (0.41) TP53HPGDTSHRSMN1; SMN2CYP3A4
SCHEMBL29375067 0.81 KDM4E (0.41) TP53HPGDTSHRSMN1; SMN2CYP3A4
SCHEMBL30841549 0.81 HIF1A (0.41) TP53HPGDTSHRSMN1; SMN2CYP3A4
SCHEMBL27913623 0.79 BRD4 (0.44) SMN1; SMN2MAPTCSNK2A2CSNK2BCSNK2A1

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-0296597-B1 Hexa-cyclic compound DAIICHI SEIYAKU CO (JP) 1994-09-21 EP disclosed
US-5061795-A ANTITUMOR AGENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 US disclosed
US-4939255-A Hexa-cyclic camptothecin derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-07-03 US disclosed
EP-0296597-A2 Hexa-cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1988-12-28 EP disclosed