SCHEMBL11222802

SCHEMBL11222802

O=C(Oc1c(Br)cccc1-c1ccccc1[N+](=O)[O-])Oc1c(Br)cccc1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ MAPT P10636 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ S100A4 P26447 2/20 0.40
▸ PTPRC P08575 1/20 0.40
▸ GPR35 Q9HC97 1/20 0.40
▸ TUBB4A P04350 3/20 0.39
▸ TUBB P07437 3/20 0.39
▸ TUBA3C P0DPH7 3/20 0.39
▸ TUBA1B P68363 3/20 0.39
▸ TUBA4A P68366 3/20 0.39
▸ TUBB4B P68371 3/20 0.39
▸ TUBB3 Q13509 3/20 0.39
▸ TUBB2A Q13885 3/20 0.39
▸ TUBB8 Q3ZCM7 3/20 0.39
▸ TUBA3E Q6PEY2 3/20 0.39

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
SCHEMBL11223661 0.82 MAPT (0.46) ALDH1A1TDP1MAPTLMNAHTT
SCHEMBL7695295 0.77 ALDH1A1 (0.59) ALDH1A1TDP1MAPTLMNAHSP90AA1
SCHEMBL1639302 0.76 ALDH1A1 (0.50) ALDH1A1TDP1MAPTLMNAHTT
SCHEMBL17035156 0.74 TDP1 (0.53) ALDH1A1TDP1MAPTLMNAS100A4
SCHEMBL28124084 0.74 ALDH1A1 (0.52) ALDH1A1TDP1MAPTLMNAHSP90AA1
SCHEMBL6936039 0.74 TDP1 (0.43) ALDH1A1TDP1MAPTLMNAHTT
SCHEMBL11222808 0.73 ALDH1A1 (0.47) ALDH1A1TDP1MAPTLMNAHTT
SCHEMBL28337676 0.73 HSD17B10 (0.35) ALDH1A1MAPTMEN1KMT2ACA1
SCHEMBL1287837 0.73 ALDH1A1 (0.74) ALDH1A1TDP1S100A4PTPRCGPR35
SCHEMBL30535903 0.73 ALDH1A1 (0.74) ALDH1A1TDP1S100A4PTPRCGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4363905-A PHASE TRANSFER CATALYST GENERAL ELECTRIC COMPANY (US) 1982-12-14 — — US disclosed
US-4316981-A Polycarbonate transesterification GENERAL ELECTRIC COMPANY (US) 1982-02-23 — — US disclosed
Send feedback