SCHEMBL29864329

SCHEMBL29864329

Clc1nc(Cl)c2c(cnn2C2CCCCO2)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ YTHDC1 Q96MU7 1/20 0.41
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ CYP4F2 P78329 5/20 0.36
▸ CYP4A11 Q02928 5/20 0.36
▸ RET P07949 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATR Q13535 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ IDH1 O75874 1/20 0.31
▸ PDE9A O76083 1/20 0.30
▸ KDM5B Q9UGL1 1/20 0.30

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
SCHEMBL29863818 0.87 YTHDC1 (0.42) ALDH1A1LMNAPOLBYTHDC1RXRA
SCHEMBL56169 0.78 YTHDC1 (0.46) ALDH1A1LMNAPOLBYTHDC1RXRA
SCHEMBL19211047 0.78 ALDH1A1 (0.44) ALDH1A1LMNAPOLBYTHDC1RXRA
SCHEMBL17200351 0.75 ALDH1A1 (0.43) ALDH1A1LMNAPOLBYTHDC1RXRA
SCHEMBL17357047 0.74 LMNA (0.48) ALDH1A1LMNAPOLBYTHDC1RXRA
SCHEMBL23013670 0.74 ALDH1A1 (0.42) ALDH1A1LMNAPOLBYTHDC1RXRA
SCHEMBL28495548 0.74 ALDH1A1 (0.42) ALDH1A1LMNAPOLBYTHDC1RXRA
SCHEMBL31358026 0.73 ALDH1A1 (0.44) ALDH1A1LMNAPOLBYTHDC1RXRA
SCHEMBL29712045 0.73 RXRA (0.47) ALDH1A1LMNAPOLBYTHDC1RXRA
SCHEMBL23013915 0.73 ALDH1A1 (0.44) ALDH1A1LMNAPOLBYTHDC1RXRA

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
WO-2024233605-A1 COMPOUNDS AND THEIR USE AGAINST CANCER TANGO THERAPEUTICS, INC. (US) 2024-11-14 — — WO disclosed
EP-4313967-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-07 — — EP disclosed
EP-4291559-A1 PYRROLO[3,2-D]PYRIMIDINE COMPOUNDS AND METHODS OF USE IN THE TREATMENT OF CANCER Tango Therapeutics, Inc. (US) 2023-12-20 — — EP disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 — — WO disclosed
WO-2022174184-A1 PYRROLO[3,2-D]PYRIMIDINE COMPOUNDS AND METHODS OF USE IN THE TREATMENT OF CANCER TANGO THERAPEUTICS, INC. (US) 2022-08-18 — — WO disclosed
Send feedback