SCHEMBL4024355

SCHEMBL4024355

COC(=O)c1ccc2cc(C(=O)c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 10/20 0.41
FGFR1 P11362 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
ACSS2 Q9NR19 1/20 0.41
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTPN11 Q06124 1/20 0.38
SCD O00767 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
SCHEMBL5678341 0.89 KDM4E (0.46) SIRT2SCD
SCHEMBL313125 0.87 ACSS2 (0.43) SIRT2ACSS2
SCHEMBL1414832 0.86 SIRT2 (0.37) SIRT2FGFR1MAPTRAB9ANPC1
SCHEMBL4030987 0.85 MEN1 (0.51) SIRT2MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL5682251 0.85 LMNA (0.42) SIRT2ACSS2MAPTRAB9ASMN1; SMN2
SCHEMBL1414809 0.83 SIRT2 (0.37) SIRT2ACSS2RAB9ANPC1
SCHEMBL4024513 0.82 CA12 (0.38) SIRT2
SCHEMBL1829222 0.82 SIRT2 (0.47) SIRT2MAPTSMN1; SMN2
SCHEMBL312503 0.82 HPGD (0.42) SIRT2MAPT
SCHEMBL7539383 0.81 SIRT2 (0.33) SIRT2ALOX15MAPTRAB9ANPC1

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