SCHEMBL30551537

SCHEMBL30551537

Brc1ncc(Br)c2c1cnn2C1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP4F2 P78329 5/20 0.38
▸ CYP4A11 Q02928 5/20 0.38
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP2C19 P33261 1/20 0.34
▸ ATR Q13535 4/20 0.32
▸ PDE9A O76083 1/20 0.32
▸ KDM5B Q9UGL1 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ YTHDC1 Q96MU7 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
SCHEMBL25319462 1.00 RET (0.41) RETALDH1A1POLBLMNACYP4F2
SCHEMBL25324455 0.87 RET (0.42) RETALDH1A1POLBLMNACYP4F2
SCHEMBL25323920 0.87 RET (0.48) RETALDH1A1POLBLMNACYP4F2
SCHEMBL25328103 0.83 RET (0.38) RETALDH1A1POLBLMNACYP4F2
SCHEMBL25322203 0.77 ALDH1A1 (0.45) RETALDH1A1POLBLMNACYP4F2
SCHEMBL20324247 0.76 CYP4F2 (0.44) RETALDH1A1POLBLMNACYP4F2
SCHEMBL29705330 0.76 CYP4F2 (0.41) RETALDH1A1POLBLMNACYP4F2
SCHEMBL29705447 0.76 ALDH1A1 (0.39) RETALDH1A1POLBLMNACYP4F2
SCHEMBL30860948 0.76 CYP4F2 (0.44) RETALDH1A1POLBLMNACYP4F2
SCHEMBL29705440 0.76 ALDH1A1 (0.45) RETALDH1A1POLBLMNACYP4F2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4469455-A1 COMPOUNDS AND METHODS OF USE Tango Therapeutics, Inc. (US) 2024-12-04 — — EP disclosed
CN-119060035-A Nitrogen-containing polycyclic derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-12-03 — — CN disclosed
WO-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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