SCHEMBL8045722

SCHEMBL8045722

CC(C)(C)c1c(C(=O)O)[nH]c2ccc(N)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NGFR P08138 1/20 0.50
SIRT1 Q96EB6 1/20 0.44
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
CYP2C19 P33261 2/20 0.40
POLB P06746 2/20 0.40
PKM P14618 2/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PRNP P04156 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL8315715 0.81 ALDH1A1 (0.59) NGFRCA12CA9ALDH1A1MEN1
SCHEMBL3918945 0.78 KDM4E (0.56) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL7155170 0.77 ALDH1A1 (0.71) CA12CA9ALDH1A1MEN1KMT2A
SCHEMBL1155981 0.75 NGFR (0.53) NGFRCA12CA9ALDH1A1MEN1
SCHEMBL28273162 0.73 KDM4E (0.51) NGFRCA12CA9ALDH1A1KDM4E
SCHEMBL6614826 0.73 ALDH1A1 (0.69) NGFRCA12CA9ALDH1A1MEN1
SCHEMBL9540712 0.72 SIRT1 (0.49) NGFRSIRT1CA12CA9AR
SCHEMBL31025912 0.71 MEN1 (0.48) NGFRALDH1A1MEN1KMT2AKDM4E
SCHEMBL13684477 0.70 ALDH1A1 (0.57) NGFRALDH1A1MEN1KMT2AKDM4E
SCHEMBL28338744 0.69 KDM4E (0.48) NGFRALDH1A1MEN1KMT2AKDM4E

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