SCHEMBL8045854

SCHEMBL8045854

O=C(O)c1cc2cc(CSSc3ccccn3)ccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.49
TP53 P04637 3/20 0.47
LMNA P02545 1/20 0.47
TBXAS1 P24557 1/20 0.46
POLB P06746 2/20 0.44
PIM1 P11309 7/20 0.44
PIM2 Q9P1W9 5/20 0.44
APEX1 P27695 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
BLM P54132 2/20 0.39
PTPN22 Q9Y2R2 1/20 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
SCHEMBL8723821 0.84 TP53 (0.37) TSHRALDH1A1MAPK1TP53LMNA
SCHEMBL8057812 0.80 NPC1 (0.40) TSHRALDH1A1TP53LMNATBXAS1
SCHEMBL8517453 0.77 TP53 (0.52) TSHRALDH1A1MAPK1TP53LMNA
SCHEMBL20141792 0.76 POLB (0.57) TSHRALDH1A1LMNAPOLBAPEX1
SCHEMBL30695197 0.76 POLB (0.57) TSHRALDH1A1LMNAPOLBAPEX1
SCHEMBL16938383 0.76 POLB (0.74) ALDH1A1LMNAPOLBNPC1RAB9A
SCHEMBL31005447 0.76 POLB (0.74) ALDH1A1LMNAPOLBNPC1RAB9A
SCHEMBL537743 0.72 EHMT2 (0.59) ALDH1A1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL11457519 0.71 TP53 (0.61) TSHRALDH1A1MAPK1TP53LMNA
SCHEMBL6163141 0.71 PIM1 (0.70) TSHRTP53LMNATBXAS1PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0563475-B1 Cell binding agent conjugates of derivatives of CC-1065 IMMUNOGEN INC (US) 2000-05-31 EP disclosed
US-5846545-A Targeted delivery of cyclopropylbenzindole-containing cytotoxic drugs IMMUNOGEN, INC. (US) 1998-12-08 US disclosed
US-5585499-A DRUG DELIVERY IMMUNOGEN INC. (US) 1996-12-17 US disclosed
US-5475092-A Deliver cytotoxic drugs to specific cell population in targeted fashion IMMUNOGEN INC. (US) 1995-12-12 US disclosed
EP-0563475-A1 Cell binding agent conjugates of derivatives of CC-1065 IMMUNOGEN INC (US) 1993-10-06 EP disclosed