SCHEMBL25166328

SCHEMBL25166328

CC1COc2c1cc(C(=O)O)c(F)c2Br

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 3/20 0.34
▸ TOP2B Q02880 3/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ ALB P02768 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ AADAT Q8N5Z0 2/20 0.32
▸ TUBB4A P04350 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ TUBB P07437 1/20 0.32
▸ TUBA3C P0DPH7 1/20 0.32
▸ TUBA1B P68363 1/20 0.32
▸ TUBA4A P68366 1/20 0.32
▸ TUBB4B P68371 1/20 0.32
▸ TUBB3 Q13509 1/20 0.32

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
SCHEMBL31107851 0.85 SOS1 (0.36) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL25166382 0.85 SOS1 (0.36) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL25166346 0.76 — —
SCHEMBL28759965 0.73 MAP2K1 (0.53) ALDH1A1
SCHEMBL29669601 0.72 TOP2A (0.32) TOP2ATOP2BKDM4EKMT2AALDH1A1
SCHEMBL25166008 0.69 PARP1 (0.49) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL28759949 0.68 MAP2K1 (0.57) —
SCHEMBL7037392 0.68 TOP2A (0.39) TOP2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL20549288 0.66 KCNH2 (0.47) TOP2ATOP2BKDM4EKMT2AALDH1A1
SCHEMBL4747738 0.66 TOP2A (0.39) TOP2ATOP2BKDM4EKMT2AALDH1A1

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
CN-118647610-A Novel modulators of EHMT1 and EHMT2 and therapeutic uses thereof 探戈医药股份有限公司 2024-09-13 — — CN disclosed
EP-4416143-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF Tango Therapeutics, Inc. (US) 2024-08-21 — — EP disclosed
WO-2023064586-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-04-20 — — WO disclosed
WO-2023064586-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-04-20 — — WO disclosed
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