SCHEMBL4026746

SCHEMBL4026746

OCCc1c(O)ccc2cc(Br)ccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
MAPT P10636 3/20 0.57
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
ERN1 O75460 1/20 0.50
LMNA P02545 3/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SIRT1 Q96EB6 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.43
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.39
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL4025325 0.90 KMT2A (0.55) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL12437312 0.86 MEN1 (0.60) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL11754243 0.82 MAPT (0.60) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL7569708 0.81 MEN1 (0.52) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL7562699 0.81 MAPT (0.52) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL18029878 0.81 KMT2A (0.52) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL7812634 0.78 POLB (0.61) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL7562636 0.77 KDM4E (0.61) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL3497695 0.77 MAPT (0.61) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL4026473 0.77 KMT2A (0.55) MEN1KMT2AMAPTKDM4EALDH1A1

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-1222174-B1 IMIDAZOL-4-YLMETHANOLS USED AS INHIBITORS OF STEROID C17-20 LYASE TAKEDA PHARMACEUTICAL (JP) 2009-05-27 EP disclosed
US-6649643-B1 Antitumor, anticarcinogenic, and antimetastasis agents; benign prostatic hyperplasia, alopecia, endometriosis, uterine myoma, hirsutism, virilism, precocious puberty, mastopathy, and polycystic overay syndrome treatment TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-18 US disclosed
EP-1222174-A1 IMIDAZOL-4-YLMETHANOLS USED AS INHIBITORS OF STEROID C17-20 LYASE Takeda Chemical Industries, Ltd. (JP) 2002-07-17 EP disclosed
WO-2001030762-A1 IMIDAZOL-4-YLMETHANOLS USE AS INHIBITORS OF STEROID C17-20 LYASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-03 WO disclosed